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

C29H27FN6O — CID 53323210

IUPAC4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)nccn23)CC1
InChIInChI=1S/C29H27FN6O/c1-32-29(37)20-9-7-19(8-10-20)28-35-25(26-27(31)33-15-16-36(26)28)21-13-11-18-12-14-22(34-24(18)23(21)30)17-5-3-2-4-6-17/h2-6,11-16,19-20H,7-10H2,1H3,(H2,31,33)(H,32,37)
InChIKeyKLVWVVQYAWNWRS-UHFFFAOYSA-N
MW494.57 g/mol
LogP5.35
Rot. Bonds4

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

4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide (PubChem CID 53323210) has the molecular formula C29H27FN6O and a molecular weight of 494.57 g/mol. Its IUPAC name is 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide
PubChem CID53323210
Molecular FormulaC29H27FN6O
Molecular Weight494.57 g/mol
Exact Mass494.22
IUPAC Name4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)nccn23)CC1
InChIInChI=1S/C29H27FN6O/c1-32-29(37)20-9-7-19(8-10-20)28-35-25(26-27(31)33-15-16-36(26)28)21-13-11-18-12-14-22(34-24(18)23(21)30)17-5-3-2-4-6-17/h2-6,11-16,19-20H,7-10H2,1H3,(H2,31,33)(H,32,37)
InChIKeyKLVWVVQYAWNWRS-UHFFFAOYSA-N
XLogP5.35
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.57
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-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

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-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide (CID 53323210) is 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-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-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)nccn23)CC1.
What is the InChIKey of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is KLVWVVQYAWNWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O/c1-32-29(37)20-9-7-19(8-10-20)28-35-25(26-27(31)33-15-16-36(26)28)21-13-11-18-12-14-22(34-24(18)23(21)30)17-5-3-2-4-6-17/h2-6,11-16,19-20H,7-10H2,1H3,(H2,31,33)(H,32,37).
What are the key properties of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide?
4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 53323210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).