1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C27H31N7O2 — CID 139530395

IUPAC1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(-c5cn(C)nc5C)ncc34)c2C1
InChIInChI=1S/C27H31N7O2/c1-17-22(15-32(3)31-17)23-13-19-5-4-6-20(21(19)14-29-23)25-24-16-33(27(35)28-2)9-10-34(24)26(30-25)18-7-11-36-12-8-18/h4-6,13-15,18H,7-12,16H2,1-3H3,(H,28,35)
InChIKeyDIEAJICCJVBMQM-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.86
Rot. Bonds3

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

1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530395) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530395
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(-c5cn(C)nc5C)ncc34)c2C1
InChIInChI=1S/C27H31N7O2/c1-17-22(15-32(3)31-17)23-13-19-5-4-6-20(21(19)14-29-23)25-24-16-33(27(35)28-2)9-10-34(24)26(30-25)18-7-11-36-12-8-18/h4-6,13-15,18H,7-12,16H2,1-3H3,(H,28,35)
InChIKeyDIEAJICCJVBMQM-UHFFFAOYSA-N
XLogP3.86
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530395) is 1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-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-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(-c5cn(C)nc5C)ncc34)c2C1.
What is the InChIKey of 1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is DIEAJICCJVBMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-17-22(15-32(3)31-17)23-13-19-5-4-6-20(21(19)14-29-23)25-24-16-33(27(35)28-2)9-10-34(24)26(30-25)18-7-11-36-12-8-18/h4-6,13-15,18H,7-12,16H2,1-3H3,(H,28,35).
What are the key properties of 1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).