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

C32H35N7O — CID 71010626

IUPAC1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide
SMILESCC[C@@H](Cc1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C32H35N7O/c1-2-21(20-38-15-12-24(13-16-38)32(34)40)18-28-37-29(30-31(33)35-14-17-39(28)30)25-9-8-23-10-11-26(36-27(23)19-25)22-6-4-3-5-7-22/h3-11,14,17,19,21,24H,2,12-13,15-16,18,20H2,1H3,(H2,33,35)(H2,34,40)/t21-/m0/s1
InChIKeyUOYDCNGEUXGOFP-NRFANRHFSA-N
MW533.68 g/mol
LogP4.96
Rot. Bonds8

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

1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide (PubChem CID 71010626) has the molecular formula C32H35N7O and a molecular weight of 533.68 g/mol. Its IUPAC name is 1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide
PubChem CID71010626
Molecular FormulaC32H35N7O
Molecular Weight533.68 g/mol
Exact Mass533.29
IUPAC Name1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide
SMILESCC[C@@H](Cc1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C32H35N7O/c1-2-21(20-38-15-12-24(13-16-38)32(34)40)18-28-37-29(30-31(33)35-14-17-39(28)30)25-9-8-23-10-11-26(36-27(23)19-25)22-6-4-3-5-7-22/h3-11,14,17,19,21,24H,2,12-13,15-16,18,20H2,1H3,(H2,33,35)(H2,34,40)/t21-/m0/s1
InChIKeyUOYDCNGEUXGOFP-NRFANRHFSA-N
XLogP4.96
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.68
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide (CID 71010626) is 1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide is CC[C@@H](Cc1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide?
The InChIKey is UOYDCNGEUXGOFP-NRFANRHFSA-N. The full InChI is InChI=1S/C32H35N7O/c1-2-21(20-38-15-12-24(13-16-38)32(34)40)18-28-37-29(30-31(33)35-14-17-39(28)30)25-9-8-23-10-11-26(36-27(23)19-25)22-6-4-3-5-7-22/h3-11,14,17,19,21,24H,2,12-13,15-16,18,20H2,1H3,(H2,33,35)(H2,34,40)/t21-/m0/s1.
What are the key properties of 1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide?
1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide has a molecular weight of 533.68 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 71010626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).