N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide

C28H32FN7O2 — CID 176570406

IUPACN-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide
SMILESCOc1cc2ncc(C3=CN(c4cc(C(=O)NC5CC5)c(F)cc4C)NC3)n2cc1N1CC2CC(C1)N2C
InChIInChI=1S/C28H32FN7O2/c1-16-6-22(29)21(28(37)32-18-4-5-18)8-23(16)36-12-17(10-31-36)24-11-30-27-9-26(38-3)25(15-35(24)27)34-13-19-7-20(14-34)33(19)2/h6,8-9,11-12,15,18-20,31H,4-5,7,10,13-14H2,1-3H3,(H,32,37)
InChIKeyGKUHBXFCLFAWRN-UHFFFAOYSA-N
MW517.61 g/mol
LogP2.94
Rot. Bonds6

About N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide

N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide (PubChem CID 176570406) has the molecular formula C28H32FN7O2 and a molecular weight of 517.61 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide
PubChem CID176570406
Molecular FormulaC28H32FN7O2
Molecular Weight517.61 g/mol
Exact Mass517.26
IUPAC NameN-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide
SMILESCOc1cc2ncc(C3=CN(c4cc(C(=O)NC5CC5)c(F)cc4C)NC3)n2cc1N1CC2CC(C1)N2C
InChIInChI=1S/C28H32FN7O2/c1-16-6-22(29)21(28(37)32-18-4-5-18)8-23(16)36-12-17(10-31-36)24-11-30-27-9-26(38-3)25(15-35(24)27)34-13-19-7-20(14-34)33(19)2/h6,8-9,11-12,15,18-20,31H,4-5,7,10,13-14H2,1-3H3,(H,32,37)
InChIKeyGKUHBXFCLFAWRN-UHFFFAOYSA-N
XLogP2.94
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.61
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]-4-methylbenzamide
CID 176570495
N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-[4-[(2S)-2-methoxypropyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]-4-methylbenzamide
CID 176570448
N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-[2-(oxetan-3-ylmethylamino)ethylamino]imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]-4-methylbenzamide
CID 176570208
N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide
CID 176570290
N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-[2-(oxetan-2-ylmethylamino)ethylamino]imidazo[1,2-a]pyridin-3-yl]-4,5-dihydrotriazol-1-yl]-4-methylbenzamide
CID 176570450
N-cyclopropyl-5-[(Z)-1-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]ethylimino]but-2-en-2-yl]-2-fluoro-4-methylbenzamide
CID 178094000
4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 89192588
cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677489
N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide
CID 171906052
2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide
CID 136547195
4-amino-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide
CID 160693193
N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride
CID 134328578

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide (CID 176570406) is N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide is COc1cc2ncc(C3=CN(c4cc(C(=O)NC5CC5)c(F)cc4C)NC3)n2cc1N1CC2CC(C1)N2C.
What is the InChIKey of N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide?
The InChIKey is GKUHBXFCLFAWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7O2/c1-16-6-22(29)21(28(37)32-18-4-5-18)8-23(16)36-12-17(10-31-36)24-11-30-27-9-26(38-3)25(15-35(24)27)34-13-19-7-20(14-34)33(19)2/h6,8-9,11-12,15,18-20,31H,4-5,7,10,13-14H2,1-3H3,(H,32,37).
What are the key properties of N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide?
N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide has a molecular weight of 517.61 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 176570406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).