5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide

C30H24N6O2S — CID 176510263

IUPAC5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide
SMILESCc1ccccc1Nc1ncc(C(=O)Nc2ccc3cn(C)nc3c2)cc1NC(=O)c1csc2ccccc12
InChIInChI=1S/C30H24N6O2S/c1-18-7-3-5-9-24(18)33-28-26(34-30(38)23-17-39-27-10-6-4-8-22(23)27)13-20(15-31-28)29(37)32-21-12-11-19-16-36(2)35-25(19)14-21/h3-17H,1-2H3,(H,31,33)(H,32,37)(H,34,38)
InChIKeyAHEHOEAJGFMRPJ-UHFFFAOYSA-N
MW532.63 g/mol
LogP6.74
Rot. Bonds6

About 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide

5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide (PubChem CID 176510263) has the molecular formula C30H24N6O2S and a molecular weight of 532.63 g/mol. Its IUPAC name is 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide
PubChem CID176510263
Molecular FormulaC30H24N6O2S
Molecular Weight532.63 g/mol
Exact Mass532.17
IUPAC Name5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide
SMILESCc1ccccc1Nc1ncc(C(=O)Nc2ccc3cn(C)nc3c2)cc1NC(=O)c1csc2ccccc12
InChIInChI=1S/C30H24N6O2S/c1-18-7-3-5-9-24(18)33-28-26(34-30(38)23-17-39-27-10-6-4-8-22(23)27)13-20(15-31-28)29(37)32-21-12-11-19-16-36(2)35-25(19)14-21/h3-17H,1-2H3,(H,31,33)(H,32,37)(H,34,38)
InChIKeyAHEHOEAJGFMRPJ-UHFFFAOYSA-N
XLogP6.74
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.63
LogP ≤ 56.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-methylanilino)-5-(methylcarbamothioyl)-3-pyridinyl]-1-benzothiophene-3-carboxamide
CID 176510139
5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 176510239
5-(1-benzothiophene-3-carbonylamino)-N-[(3-hydroxycyclopentyl)methyl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 176510250
5-(1-benzothiophene-3-carbonylamino)-6-(4-methylanilino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 176510050
5-(1-benzothiophene-3-carbonylamino)-N-(3-hydroxycyclopentyl)-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512110
N-[5-(3-methoxyazetidine-1-carbonyl)-2-(2-methylanilino)-3-pyridinyl]-1-benzothiophene-3-carboxamide
CID 176510216
5-(1-benzothiophene-3-carbonylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 176510190
5-(1-benzothiophene-3-carbonylamino)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 176510273
5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 167512078
5-[(4-fluoro-3,5-dimethylbenzoyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512340
4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide
CID 176510143
ethane;3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]isoquinoline-1-carboxamide
CID 167512246

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide (CID 176510263) is 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide is Cc1ccccc1Nc1ncc(C(=O)Nc2ccc3cn(C)nc3c2)cc1NC(=O)c1csc2ccccc12.
What is the InChIKey of 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide?
The InChIKey is AHEHOEAJGFMRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O2S/c1-18-7-3-5-9-24(18)33-28-26(34-30(38)23-17-39-27-10-6-4-8-22(23)27)13-20(15-31-28)29(37)32-21-12-11-19-16-36(2)35-25(19)14-21/h3-17H,1-2H3,(H,31,33)(H,32,37)(H,34,38).
What are the key properties of 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide?
5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide has a molecular weight of 532.63 g/mol, XLogP of 6.74, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 176510263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).