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CAS 817194-38-0 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide molecular structure lightbox
CAS RN: 817194-38-0

4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

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  • Product code: starshine_CAS817194-38-0
  • Purity/Analytical Methods: >99.0%
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817194-38-0 / 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

Standard CAS: 817194-38-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
817194-38-0
Multi CAS
No
Molecular Formula
C19FH16N5O2
Molecular Weight
365.400000
Exact Mass
365.128803
InChI
InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
InChIKey
HEAIGWIZTYAQTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
4
Molar refractivity
98.23
TPSA
98.91

LogP / Solubility

WLOGP
2.97
MLOGP
2.63
XLogP3
1.7
Consensus LogP
2.43
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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