3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one

C22H24N4O4S — CID 129246285

IUPAC3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
SMILESCOc1cnccc1-c1[nH]c2c(c1Nc1ccccc1)C(=O)CN(S(=O)(=O)C(C)C)C2
InChIInChI=1S/C22H24N4O4S/c1-14(2)31(28,29)26-12-17-20(18(27)13-26)22(24-15-7-5-4-6-8-15)21(25-17)16-9-10-23-11-19(16)30-3/h4-11,14,24-25H,12-13H2,1-3H3
InChIKeyQWLPTAYZKLSHPA-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.57
Rot. Bonds6

About 3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one

3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one (PubChem CID 129246285) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
PubChem CID129246285
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
SMILESCOc1cnccc1-c1[nH]c2c(c1Nc1ccccc1)C(=O)CN(S(=O)(=O)C(C)C)C2
InChIInChI=1S/C22H24N4O4S/c1-14(2)31(28,29)26-12-17-20(18(27)13-26)22(24-15-7-5-4-6-8-15)21(25-17)16-9-10-23-11-19(16)30-3/h4-11,14,24-25H,12-13H2,1-3H3
InChIKeyQWLPTAYZKLSHPA-UHFFFAOYSA-N
XLogP3.57
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 129246903
3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 129246401
3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide
CID 129246644
3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methylsulfinyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 162605846
methyl 3-anilino-4-oxo-2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 129246424
3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134582015
3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide
CID 129272570
methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate
CID 134575266
3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 129246346
3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one
CID 118607239
3-anilino-2-(3-bromo-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 118607035
3-anilino-6-[1-(2-methylsulfonylethylamino)ethyl]-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 129272946

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one?
The IUPAC name of 3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one (CID 129246285) is 3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one.
What is the SMILES notation for 3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one?
The canonical SMILES for 3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one is COc1cnccc1-c1[nH]c2c(c1Nc1ccccc1)C(=O)CN(S(=O)(=O)C(C)C)C2.
What is the InChIKey of 3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one?
The InChIKey is QWLPTAYZKLSHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-14(2)31(28,29)26-12-17-20(18(27)13-26)22(24-15-7-5-4-6-8-15)21(25-17)16-9-10-23-11-19(16)30-3/h4-11,14,24-25H,12-13H2,1-3H3.
What are the key properties of 3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one?
3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one has a molecular weight of 440.53 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one is sourced from PubChem (CID 129246285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).