![CAS 3060954-15-3 3′-(6-Chloro-1H-indol-2-yl)-N-cyclopropyl-1′,6′-dihydro-5’H-spiro[cyclobutane-1,4′-pyrrolo[3,4-c]pyrazole]-5′-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2026/07/3060954-15-3.png)
CAS RN: 3060954-15-3
3′-(6-Chloro-1H-indol-2-yl)-N-cyclopropyl-1′,6′-dihydro-5’H-spiro[cyclobutane-1,4′-pyrrolo[3,4-c]pyrazole]-5′-carboxamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260228 | 1mg | Out of stock | Inquiry |
3060954-15-3 / 3-(6-chloro-1H-indol-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide
PIP5K1C-IN-1 | CHEMBL5639468 | orb3134073
Basic Information
CAS
3060954-15-3
Multi CAS
No
Molecular Formula
C20H20CLN5O
Molecular Weight
381.900000
Exact Mass
381.135638
SMILES
C1CC2(C1)C3=C(CN2C(=O)NC4CC4)NN=C3C5=CC6=C(N5)C=C(C=C6)Cl
InChI
InChI=1S/C20H20ClN5O/c21-12-3-2-11-8-15(23-14(11)9-12)18-17-16(24-25-18)10-26(20(17)6-1-7-20)19(27)22-13-4-5-13/h2-3,8-9,13,23H,1,4-7,10H2,(H,22,27)(H,24,25)
InChIKey
LLAWYVWENAOOFO-UHFFFAOYSA-N
Synonyms
PIP5K1C-IN-1
CHEMBL5639468
orb3134073
EX-A13680
HY-163476
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
14
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
103.52
TPSA
76.81
LogP / Solubility
WLOGP
4.28
MLOGP
3.79
XLogP3
2.7
Consensus LogP
3.59
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
