N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide

C23H18N6O2 — CID 171491985

IUPACN-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3cnccc3c2)nc1-c1cn(C)c(=O)c2[nH]cnc12
InChIInChI=1S/C23H18N6O2/c1-13-3-6-18(28-22(30)15-4-5-16-10-24-8-7-14(16)9-15)27-19(13)17-11-29(2)23(31)21-20(17)25-12-26-21/h3-12H,1-2H3,(H,25,26)(H,27,28,30)
InChIKeyVGLBPRBNOPLAQC-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.43
Rot. Bonds3

About N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide

N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide (PubChem CID 171491985) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide
PubChem CID171491985
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC NameN-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3cnccc3c2)nc1-c1cn(C)c(=O)c2[nH]cnc12
InChIInChI=1S/C23H18N6O2/c1-13-3-6-18(28-22(30)15-4-5-16-10-24-8-7-14(16)9-15)27-19(13)17-11-29(2)23(31)21-20(17)25-12-26-21/h3-12H,1-2H3,(H,25,26)(H,27,28,30)
InChIKeyVGLBPRBNOPLAQC-UHFFFAOYSA-N
XLogP3.43
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide with MolForge

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Related Compounds

N-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492105
N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492136
N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492120
N-[5-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propyl]-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492102
N-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide
CID 171491884
N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
CID 110485084
N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
CID 110485085
N-[6-[(cyclohexylamino)-phenylmethyl]-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492093
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide
CID 118538840
N-ethylisoquinoline-6-carboxamide
CID 110485080
N-cycloheptylisoquinoline-6-carboxamide
CID 110485190

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide?
The IUPAC name of N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide (CID 171491985) is N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide.
What is the SMILES notation for N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide?
The canonical SMILES for N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide is Cc1ccc(NC(=O)c2ccc3cnccc3c2)nc1-c1cn(C)c(=O)c2[nH]cnc12.
What is the InChIKey of N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide?
The InChIKey is VGLBPRBNOPLAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-13-3-6-18(28-22(30)15-4-5-16-10-24-8-7-14(16)9-15)27-19(13)17-11-29(2)23(31)21-20(17)25-12-26-21/h3-12H,1-2H3,(H,25,26)(H,27,28,30).
What are the key properties of N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide?
N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 171491985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).