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

C26H29N7O2 — CID 139543422

IUPACN-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1
InChIInChI=1S/C26H29N7O2/c1-27-26(34)32-8-9-33-23(16-32)24(30-25(33)17-6-10-35-11-7-17)20-5-3-4-18-12-22(28-14-21(18)20)19-13-29-31(2)15-19/h3-5,12-15,17H,6-11,16H2,1-2H3,(H,27,34)
InChIKeyNTDWZZRYPVPWMW-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.55
Rot. Bonds3

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

N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139543422) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139543422
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1
InChIInChI=1S/C26H29N7O2/c1-27-26(34)32-8-9-33-23(16-32)24(30-25(33)17-6-10-35-11-7-17)20-5-3-4-18-12-22(28-14-21(18)20)19-13-29-31(2)15-19/h3-5,12-15,17H,6-11,16H2,1-2H3,(H,27,34)
InChIKeyNTDWZZRYPVPWMW-UHFFFAOYSA-N
XLogP3.55
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-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 N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139543422) is N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.
What is the InChIKey of N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is NTDWZZRYPVPWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-27-26(34)32-8-9-33-23(16-32)24(30-25(33)17-6-10-35-11-7-17)20-5-3-4-18-12-22(28-14-21(18)20)19-13-29-31(2)15-19/h3-5,12-15,17H,6-11,16H2,1-2H3,(H,27,34).
What are the key properties of N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139543422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).