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

C24H18N4O2S — CID 171492105

IUPACN-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3cnccc3c2)nc1-c1cn(C)c(=O)c2sccc12
InChIInChI=1S/C24H18N4O2S/c1-14-3-6-20(27-23(29)16-4-5-17-12-25-9-7-15(17)11-16)26-21(14)19-13-28(2)24(30)22-18(19)8-10-31-22/h3-13H,1-2H3,(H,26,27,29)
InChIKeyQJFZSRXXYWNNKD-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.77
Rot. Bonds3

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

N-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide (PubChem CID 171492105) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide
PubChem CID171492105
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC NameN-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3cnccc3c2)nc1-c1cn(C)c(=O)c2sccc12
InChIInChI=1S/C24H18N4O2S/c1-14-3-6-20(27-23(29)16-4-5-17-12-25-9-7-15(17)11-16)26-21(14)19-13-28(2)24(30)22-18(19)8-10-31-22/h3-13H,1-2H3,(H,26,27,29)
InChIKeyQJFZSRXXYWNNKD-UHFFFAOYSA-N
XLogP4.77
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide
CID 171491985
N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492136
N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
CID 110485084
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-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-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide
CID 110485103
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186
N-ethylisoquinoline-6-carboxamide
CID 110485080
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-(3-hydroxypropyl)isoquinoline-6-carboxamide
CID 110485097

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide?
The IUPAC name of N-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide (CID 171492105) is N-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide.
What is the SMILES notation for N-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide?
The canonical SMILES for N-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide is Cc1ccc(NC(=O)c2ccc3cnccc3c2)nc1-c1cn(C)c(=O)c2sccc12.
What is the InChIKey of N-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide?
The InChIKey is QJFZSRXXYWNNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c1-14-3-6-20(27-23(29)16-4-5-17-12-25-9-7-15(17)11-16)26-21(14)19-13-28(2)24(30)22-18(19)8-10-31-22/h3-13H,1-2H3,(H,26,27,29).
What are the key properties of N-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide?
N-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 171492105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).