N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C31H35N7O — CID 143120644

IUPACN-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCNC(=O)N1CCC(C)CC1.Cc1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12
InChIInChI=1S/C22H17N5.C9H18N2O/c1-14-25-20(21-22(23)24-11-12-27(14)21)17-8-7-16-9-10-18(26-19(16)13-17)15-5-3-2-4-6-15;1-3-10-9(12)11-6-4-8(2)5-7-11/h2-13H,1H3,(H2,23,24);8H,3-7H2,1-2H3,(H,10,12)
InChIKeyVPJWJDMJWBLHDE-UHFFFAOYSA-N
MW521.67 g/mol
LogP5.95
Rot. Bonds3

About N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 143120644) has the molecular formula C31H35N7O and a molecular weight of 521.67 g/mol. Its IUPAC name is N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID143120644
Molecular FormulaC31H35N7O
Molecular Weight521.67 g/mol
Exact Mass521.29
IUPAC NameN-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCNC(=O)N1CCC(C)CC1.Cc1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12
InChIInChI=1S/C22H17N5.C9H18N2O/c1-14-25-20(21-22(23)24-11-12-27(14)21)17-8-7-16-9-10-18(26-19(16)13-17)15-5-3-2-4-6-15;1-3-10-9(12)11-6-4-8(2)5-7-11/h2-13H,1H3,(H2,23,24);8H,3-7H2,1-2H3,(H,10,12)
InChIKeyVPJWJDMJWBLHDE-UHFFFAOYSA-N
XLogP5.95
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.67
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide
CID 11699062
1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone
CID 11547928
1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide
CID 71010626
1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 58023045
1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea
CID 143120549
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 157185500
3-[4-(methylaminomethyl)cyclohexyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71179461
3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11511851
4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidine-1-sulfinic acid
CID 71179512
3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71095809
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(trideuteriomethyl)cyclobutan-1-ol
CID 52915009
3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495204

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 143120644) is N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is CCNC(=O)N1CCC(C)CC1.Cc1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12.
What is the InChIKey of N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is VPJWJDMJWBLHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5.C9H18N2O/c1-14-25-20(21-22(23)24-11-12-27(14)21)17-8-7-16-9-10-18(26-19(16)13-17)15-5-3-2-4-6-15;1-3-10-9(12)11-6-4-8(2)5-7-11/h2-13H,1H3,(H2,23,24);8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 521.67 g/mol, XLogP of 5.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 143120644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).