3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide

C25H31N5O3S — CID 129272570

IUPAC3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide
SMILESC=C1CN(S(=O)(=O)N(C)C)Cc2[nH]c(-c3ccncc3CCCOC)c(Nc3ccccc3)c21
InChIInChI=1S/C25H31N5O3S/c1-18-16-30(34(31,32)29(2)3)17-22-23(18)25(27-20-10-6-5-7-11-20)24(28-22)21-12-13-26-15-19(21)9-8-14-33-4/h5-7,10-13,15,27-28H,1,8-9,14,16-17H2,2-4H3
InChIKeyDRKHFCZXMATWDM-UHFFFAOYSA-N
MW481.62 g/mol
LogP4.03
Rot. Bonds9

About 3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide

3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide (PubChem CID 129272570) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is 3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide.

Molecular Properties

Compound Name3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide
PubChem CID129272570
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
IUPAC Name3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide
SMILESC=C1CN(S(=O)(=O)N(C)C)Cc2[nH]c(-c3ccncc3CCCOC)c(Nc3ccccc3)c21
InChIInChI=1S/C25H31N5O3S/c1-18-16-30(34(31,32)29(2)3)17-22-23(18)25(27-20-10-6-5-7-11-20)24(28-22)21-12-13-26-15-19(21)9-8-14-33-4/h5-7,10-13,15,27-28H,1,8-9,14,16-17H2,2-4H3
InChIKeyDRKHFCZXMATWDM-UHFFFAOYSA-N
XLogP4.03
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide 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]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide
CID 129246644
3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 129246285
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]-6-methylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 129246903
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
2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine
CID 129246649
3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methylsulfinyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 162605846
3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one
CID 118607239
3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
CID 122442108
3-anilino-2-(3-bromo-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 118607035
methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate
CID 134575266
3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide
CID 134563196

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide?
The IUPAC name of 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) is 3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide.
What is the SMILES notation for 3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide?
The canonical SMILES for 3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide is C=C1CN(S(=O)(=O)N(C)C)Cc2[nH]c(-c3ccncc3CCCOC)c(Nc3ccccc3)c21.
What is the InChIKey of 3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide?
The InChIKey is DRKHFCZXMATWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-18-16-30(34(31,32)29(2)3)17-22-23(18)25(27-20-10-6-5-7-11-20)24(28-22)21-12-13-26-15-19(21)9-8-14-33-4/h5-7,10-13,15,27-28H,1,8-9,14,16-17H2,2-4H3.
What are the key properties of 3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide?
3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide has a molecular weight of 481.62 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-[3-(3-methoxypropyl)-4-pyridinyl]-N,N-dimethyl-4-methylidene-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide is sourced from PubChem (CID 129272570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).