1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine

C24H28N4O3S — CID 25192016

IUPAC1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine
SMILESCO[C@H]1CCN(c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4ncccc43)c2)C1
InChIInChI=1S/C24H28N4O3S/c1-26-12-8-18(9-13-26)22-17-28(23-7-4-11-25-24(22)23)32(29,30)21-6-3-5-19(15-21)27-14-10-20(16-27)31-2/h3-8,11,15,17,20H,9-10,12-14,16H2,1-2H3/t20-/m0/s1
InChIKeyWQFWTAVZBUPHOH-FQEVSTJZSA-N
MW452.58 g/mol
LogP3.22
Rot. Bonds5

About 1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine

1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine (PubChem CID 25192016) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine
PubChem CID25192016
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine
SMILESCO[C@H]1CCN(c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4ncccc43)c2)C1
InChIInChI=1S/C24H28N4O3S/c1-26-12-8-18(9-13-26)22-17-28(23-7-4-11-25-24(22)23)32(29,30)21-6-3-5-19(15-21)27-14-10-20(16-27)31-2/h3-8,11,15,17,20H,9-10,12-14,16H2,1-2H3/t20-/m0/s1
InChIKeyWQFWTAVZBUPHOH-FQEVSTJZSA-N
XLogP3.22
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine 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

tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59259359
tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-methoxypyrrolidin-1-yl)benzenesulfonyl chloride;1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine
CID 160870261
formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 157131248
formic acid;2-[1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N-methylethanamine
CID 159946943
1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine
CID 25192019
formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylpyrrolo[3,2-b]pyridine
CID 159076413
5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine
CID 159092849
2-[1-[4-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine
CID 44624500
(3S)-1-[3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylphenyl]pyrrolidin-3-ol
CID 25192878
1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine
CID 46183213
N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline
CID 24743941
1-[3-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-4-piperazin-1-ylindole
CID 25118559

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine (CID 25192016) is 1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine is CO[C@H]1CCN(c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4ncccc43)c2)C1.
What is the InChIKey of 1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is WQFWTAVZBUPHOH-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-26-12-8-18(9-13-26)22-17-28(23-7-4-11-25-24(22)23)32(29,30)21-6-3-5-19(15-21)27-14-10-20(16-27)31-2/h3-8,11,15,17,20H,9-10,12-14,16H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine?
1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 452.58 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 25192016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).