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

C31H27FN8O — CID 53316638

IUPAC4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-pyrazol-5-yl)cyclohexane-1-carboxamide
SMILESNc1nccn2c(C3CCC(C(=O)Nc4ccn[nH]4)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12
InChIInChI=1S/C31H27FN8O/c32-25-22(12-10-19-11-13-23(36-26(19)25)18-4-2-1-3-5-18)27-28-29(33)34-16-17-40(28)30(38-27)20-6-8-21(9-7-20)31(41)37-24-14-15-35-39-24/h1-5,10-17,20-21H,6-9H2,(H2,33,34)(H2,35,37,39,41)
InChIKeyVCGMYWKGWAKRHL-UHFFFAOYSA-N
MW546.61 g/mol
LogP5.97
Rot. Bonds5

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

4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-pyrazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 53316638) has the molecular formula C31H27FN8O and a molecular weight of 546.61 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-pyrazol-5-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-pyrazol-5-yl)cyclohexane-1-carboxamide
PubChem CID53316638
Molecular FormulaC31H27FN8O
Molecular Weight546.61 g/mol
Exact Mass546.23
IUPAC Name4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-pyrazol-5-yl)cyclohexane-1-carboxamide
SMILESNc1nccn2c(C3CCC(C(=O)Nc4ccn[nH]4)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12
InChIInChI=1S/C31H27FN8O/c32-25-22(12-10-19-11-13-23(36-26(19)25)18-4-2-1-3-5-18)27-28-29(33)34-16-17-40(28)30(38-27)20-6-8-21(9-7-20)31(41)37-24-14-15-35-39-24/h1-5,10-17,20-21H,6-9H2,(H2,33,34)(H2,35,37,39,41)
InChIKeyVCGMYWKGWAKRHL-UHFFFAOYSA-N
XLogP5.97
TPSA126.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.61
LogP ≤ 55.97
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-pyrazol-5-yl)cyclohexane-1-carboxamide with MolForge

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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-pyrazol-5-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-pyrazol-5-yl)cyclohexane-1-carboxamide (CID 53316638) is 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-pyrazol-5-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-pyrazol-5-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-pyrazol-5-yl)cyclohexane-1-carboxamide is Nc1nccn2c(C3CCC(C(=O)Nc4ccn[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-pyrazol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is VCGMYWKGWAKRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN8O/c32-25-22(12-10-19-11-13-23(36-26(19)25)18-4-2-1-3-5-18)27-28-29(33)34-16-17-40(28)30(38-27)20-6-8-21(9-7-20)31(41)37-24-14-15-35-39-24/h1-5,10-17,20-21H,6-9H2,(H2,33,34)(H2,35,37,39,41).
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-pyrazol-5-yl)cyclohexane-1-carboxamide?
4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-pyrazol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 546.61 g/mol, XLogP of 5.97, 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-pyrazol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 53316638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).