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

C30H31N7O — CID 11699062

IUPAC4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1
InChIInChI=1S/C30H31N7O/c1-2-32-30(38)36-15-12-20(13-16-36)18-26-35-27(28-29(31)33-14-17-37(26)28)23-9-8-22-10-11-24(34-25(22)19-23)21-6-4-3-5-7-21/h3-11,14,17,19-20H,2,12-13,15-16,18H2,1H3,(H2,31,33)(H,32,38)
InChIKeyMBRWZIGAURYZIL-UHFFFAOYSA-N
MW505.63 g/mol
LogP5.18
Rot. Bonds5

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

4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 11699062) has the molecular formula C30H31N7O and a molecular weight of 505.63 g/mol. Its IUPAC name is 4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide
PubChem CID11699062
Molecular FormulaC30H31N7O
Molecular Weight505.63 g/mol
Exact Mass505.26
IUPAC Name4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1
InChIInChI=1S/C30H31N7O/c1-2-32-30(38)36-15-12-20(13-16-36)18-26-35-27(28-29(31)33-14-17-37(26)28)23-9-8-22-10-11-24(34-25(22)19-23)21-6-4-3-5-7-21/h3-11,14,17,19-20H,2,12-13,15-16,18H2,1H3,(H2,31,33)(H,32,38)
InChIKeyMBRWZIGAURYZIL-UHFFFAOYSA-N
XLogP5.18
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.63
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-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-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide (CID 11699062) is 4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.
What is the InChIKey of 4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is MBRWZIGAURYZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O/c1-2-32-30(38)36-15-12-20(13-16-36)18-26-35-27(28-29(31)33-14-17-37(26)28)23-9-8-22-10-11-24(34-25(22)19-23)21-6-4-3-5-7-21/h3-11,14,17,19-20H,2,12-13,15-16,18H2,1H3,(H2,31,33)(H,32,38).
What are the key properties of 4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide?
4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 505.63 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 11699062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).