4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide

C35H29FN8O — CID 50938549

IUPAC4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide
SMILESNc1nccn2c(C3CCC(C(=O)Nc4nc5ccccc5[nH]4)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12
InChIInChI=1S/C35H29FN8O/c36-28-24(16-14-21-15-17-25(39-29(21)28)20-6-2-1-3-7-20)30-31-32(37)38-18-19-44(31)33(42-30)22-10-12-23(13-11-22)34(45)43-35-40-26-8-4-5-9-27(26)41-35/h1-9,14-19,22-23H,10-13H2,(H2,37,38)(H2,40,41,43,45)
InChIKeyZBWFGEZHUGGSNJ-UHFFFAOYSA-N
MW596.67 g/mol
LogP7.12
Rot. Bonds5

About 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide

4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 50938549) has the molecular formula C35H29FN8O and a molecular weight of 596.67 g/mol. Its IUPAC name is 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide
PubChem CID50938549
Molecular FormulaC35H29FN8O
Molecular Weight596.67 g/mol
Exact Mass596.24
IUPAC Name4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide
SMILESNc1nccn2c(C3CCC(C(=O)Nc4nc5ccccc5[nH]4)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12
InChIInChI=1S/C35H29FN8O/c36-28-24(16-14-21-15-17-25(39-29(21)28)20-6-2-1-3-7-20)30-31-32(37)38-18-19-44(31)33(42-30)22-10-12-23(13-11-22)34(45)43-35-40-26-8-4-5-9-27(26)41-35/h1-9,14-19,22-23H,10-13H2,(H2,37,38)(H2,40,41,43,45)
InChIKeyZBWFGEZHUGGSNJ-UHFFFAOYSA-N
XLogP7.12
TPSA126.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.67
LogP ≤ 57.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Apto-253
CID 11960271
7-(4-{[4-(6-fluoro-1H-1,3-benzodiazol-2-yl)piperidin-1-yl]methyl}phenyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 11670972
N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-4-phenylbutanamide
CID 23646216
N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-(naphthalen-2-yl)propanamide
CID 23646217
N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]-2-(6-carbamimidoyl-1H-indol-1-yl)-3-phenylpropanamide
CID 23646222
4-(((1H-Benzimidazol-2-ylmethyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-N-(pyridin-2-yl)benzamide
CID 9805513
[6-(4-Fluoro-phenyl)-1H-indol-3-yl]-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-phenyl]-methanone
CID 10623837
3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 15948947
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide
CID 16678155
N-({trans-4-[8-Amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl}methyl)acetamide
CID 16678352
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone
CID 16678652
1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone
CID 24862841

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide (CID 50938549) is 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide is Nc1nccn2c(C3CCC(C(=O)Nc4nc5ccccc5[nH]4)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12.
What is the InChIKey of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is ZBWFGEZHUGGSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29FN8O/c36-28-24(16-14-21-15-17-25(39-29(21)28)20-6-2-1-3-7-20)30-31-32(37)38-18-19-44(31)33(42-30)22-10-12-23(13-11-22)34(45)43-35-40-26-8-4-5-9-27(26)41-35/h1-9,14-19,22-23H,10-13H2,(H2,37,38)(H2,40,41,43,45).
What are the key properties of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide?
4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 596.67 g/mol, XLogP of 7.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 50938549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).