1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C27H28N8O2 — CID 139530323

IUPAC1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C#N)cc34)c2C1
InChIInChI=1S/C27H28N8O2/c1-29-27(36)34-8-9-35-23(16-34)25(32-26(35)17-6-10-37-11-7-17)20-4-3-5-22-21(20)12-18(13-28)24(31-22)19-14-30-33(2)15-19/h3-5,12,14-15,17H,6-11,16H2,1-2H3,(H,29,36)
InChIKeyNRVPKHKXOCCHKA-UHFFFAOYSA-N
MW496.58 g/mol
LogP3.42
Rot. Bonds3

About 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530323) has the molecular formula C27H28N8O2 and a molecular weight of 496.58 g/mol. Its IUPAC name is 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530323
Molecular FormulaC27H28N8O2
Molecular Weight496.58 g/mol
Exact Mass496.23
IUPAC Name1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C#N)cc34)c2C1
InChIInChI=1S/C27H28N8O2/c1-29-27(36)34-8-9-35-23(16-34)25(32-26(35)17-6-10-37-11-7-17)20-4-3-5-22-21(20)12-18(13-28)24(31-22)19-14-30-33(2)15-19/h3-5,12,14-15,17H,6-11,16H2,1-2H3,(H,29,36)
InChIKeyNRVPKHKXOCCHKA-UHFFFAOYSA-N
XLogP3.42
TPSA113.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.58
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530323) is 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C#N)cc34)c2C1.
What is the InChIKey of 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is NRVPKHKXOCCHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O2/c1-29-27(36)34-8-9-35-23(16-34)25(32-26(35)17-6-10-37-11-7-17)20-4-3-5-22-21(20)12-18(13-28)24(31-22)19-14-30-33(2)15-19/h3-5,12,14-15,17H,6-11,16H2,1-2H3,(H,29,36).
What are the key properties of 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 496.58 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).