1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine

C24H25N5O2S — CID 67324676

IUPAC1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine
SMILESNc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H25N5O2S/c25-22-15-26-24-21(12-14-29(24)32(30,31)20-9-5-2-6-10-20)23(22)27-19-11-13-28(17-19)16-18-7-3-1-4-8-18/h1-10,12,14-15,19H,11,13,16-17,25H2,(H,26,27)/t19-/m1/s1
InChIKeyDJRRHMFHAICTME-LJQANCHMSA-N
MW447.56 g/mol
LogP3.54
Rot. Bonds6

About 1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine

1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine (PubChem CID 67324676) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine
PubChem CID67324676
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine
SMILESNc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H25N5O2S/c25-22-15-26-24-21(12-14-29(24)32(30,31)20-9-5-2-6-10-20)23(22)27-19-11-13-28(17-19)16-18-7-3-1-4-8-18/h1-10,12,14-15,19H,11,13,16-17,25H2,(H,26,27)/t19-/m1/s1
InChIKeyDJRRHMFHAICTME-LJQANCHMSA-N
XLogP3.54
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine 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

DB-02197
CID 5288527
BB-823
CID 9954410
N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Sulfonamide deriv. 3e
CID 6539028
Pyrrolopyrimidine 20
CID 23646632
1-[4-Methyl-1-(Methylsulfonyl)piperidin-4-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973424
1-(1-Benzylpiperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973425
N-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl]benzenesulphonamide
CID 23652981
N-[2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethyl]methanesulfonamide
CID 44431997

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine?
The IUPAC name of 1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine (CID 67324676) is 1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine?
The canonical SMILES for 1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine is Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine?
The InChIKey is DJRRHMFHAICTME-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25N5O2S/c25-22-15-26-24-21(12-14-29(24)32(30,31)20-9-5-2-6-10-20)23(22)27-19-11-13-28(17-19)16-18-7-3-1-4-8-18/h1-10,12,14-15,19H,11,13,16-17,25H2,(H,26,27)/t19-/m1/s1.
What are the key properties of 1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine?
1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine has a molecular weight of 447.56 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4,5-diamine is sourced from PubChem (CID 67324676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).