CAS RN: 2308497-58-5
FGFR1/DDR2 inhibitor 1
Product Availability
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9 package records5 with current stock2 grade groups
- Product code: starshine_CAS2308497-58-5
- Purity/Analytical Methods: >99.0%
2308497-58-5 / 3-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
Basic Information
CAS
2308497-58-5
Multi CAS
No
Molecular Formula
C28H22F3N5O
Molecular Weight
501.500000
Exact Mass
501.177645
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC4=C(C=C3)C(=NN4)C5=CN(N=C5)C6CC6
InChI
InChI=1S/C28H22F3N5O/c1-16-5-6-18(27(37)33-21-4-2-3-20(13-21)28(29,30)31)11-24(16)17-7-10-23-25(12-17)34-35-26(23)19-14-32-36(15-19)22-8-9-22/h2-7,10-15,22H,8-9H2,1H3,(H,33,37)(H,34,35)
InChIKey
ZEOWTGPWHLSLOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
26
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
135.16
TPSA
75.6
LogP / Solubility
WLOGP
7.01
MLOGP
6.2
XLogP3
5.7
Consensus LogP
6.3
Log S (ESOL)
-7.55
Class (ESOL)
Insoluble
Log S (Ali)
-8.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.8
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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