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

C32H33N7O — CID 11599014

IUPAC1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C32H33N7O/c33-30-29-28(24-7-6-22-8-9-26(36-27(22)18-24)21-4-2-1-3-5-21)37-32(39(29)15-12-35-30)25-16-20(17-25)19-38-13-10-23(11-14-38)31(34)40/h1-9,12,15,18,20,23,25H,10-11,13-14,16-17,19H2,(H2,33,35)(H2,34,40)
InChIKeyOZKABYSKDLVKBE-UHFFFAOYSA-N
MW531.66 g/mol
LogP4.88
Rot. Bonds6

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

1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-carboxamide (PubChem CID 11599014) has the molecular formula C32H33N7O and a molecular weight of 531.66 g/mol. Its IUPAC name is 1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-carboxamide
PubChem CID11599014
Molecular FormulaC32H33N7O
Molecular Weight531.66 g/mol
Exact Mass531.27
IUPAC Name1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C32H33N7O/c33-30-29-28(24-7-6-22-8-9-26(36-27(22)18-24)21-4-2-1-3-5-21)37-32(39(29)15-12-35-30)25-16-20(17-25)19-38-13-10-23(11-14-38)31(34)40/h1-9,12,15,18,20,23,25H,10-11,13-14,16-17,19H2,(H2,33,35)(H2,34,40)
InChIKeyOZKABYSKDLVKBE-UHFFFAOYSA-N
XLogP4.88
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.66
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-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 1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-carboxamide (CID 11599014) is 1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.
What is the InChIKey of 1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-carboxamide?
The InChIKey is OZKABYSKDLVKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O/c33-30-29-28(24-7-6-22-8-9-26(36-27(22)18-24)21-4-2-1-3-5-21)37-32(39(29)15-12-35-30)25-16-20(17-25)19-38-13-10-23(11-14-38)31(34)40/h1-9,12,15,18,20,23,25H,10-11,13-14,16-17,19H2,(H2,33,35)(H2,34,40).
What are the key properties of 1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-carboxamide?
1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-carboxamide has a molecular weight of 531.66 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 11599014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).