2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide

C28H27N5O3S — CID 170305570

IUPAC2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide
SMILESCc1noc(C)c1-c1cnc2c(-c3ccc(S(N)(=O)=O)c(C4CC4)c3)cn(C(C)c3ccccn3)c2c1
InChIInChI=1S/C28H27N5O3S/c1-16-27(18(3)36-32-16)21-13-25-28(31-14-21)23(15-33(25)17(2)24-6-4-5-11-30-24)20-9-10-26(37(29,34)35)22(12-20)19-7-8-19/h4-6,9-15,17,19H,7-8H2,1-3H3,(H2,29,34,35)
InChIKeyANTNNHMYZMLMJF-UHFFFAOYSA-N
MW513.62 g/mol
LogP5.50
Rot. Bonds6

About 2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide

2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide (PubChem CID 170305570) has the molecular formula C28H27N5O3S and a molecular weight of 513.62 g/mol. Its IUPAC name is 2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide
PubChem CID170305570
Molecular FormulaC28H27N5O3S
Molecular Weight513.62 g/mol
Exact Mass513.18
IUPAC Name2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide
SMILESCc1noc(C)c1-c1cnc2c(-c3ccc(S(N)(=O)=O)c(C4CC4)c3)cn(C(C)c3ccccn3)c2c1
InChIInChI=1S/C28H27N5O3S/c1-16-27(18(3)36-32-16)21-13-25-28(31-14-21)23(15-33(25)17(2)24-6-4-5-11-30-24)20-9-10-26(37(29,34)35)22(12-20)19-7-8-19/h4-6,9-15,17,19H,7-8H2,1-3H3,(H2,29,34,35)
InChIKeyANTNNHMYZMLMJF-UHFFFAOYSA-N
XLogP5.50
TPSA116.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.62
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide 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

3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
CID 118059912
2-chloro-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid
CID 118060012
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoic acid
CID 118059817
ethyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate
CID 118059725
methyl 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropane-1-carboxylate
CID 118059732
3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfinamide
CID 118069559
3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane
CID 142558064
3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfinamide;methane;hydrate
CID 158611894
4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 130278116
3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(S)-phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
CID 118059512
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 167441309
1-[1-[4-[1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone
CID 130278108

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide?
The IUPAC name of 2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide (CID 170305570) is 2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide is Cc1noc(C)c1-c1cnc2c(-c3ccc(S(N)(=O)=O)c(C4CC4)c3)cn(C(C)c3ccccn3)c2c1.
What is the InChIKey of 2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide?
The InChIKey is ANTNNHMYZMLMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3S/c1-16-27(18(3)36-32-16)21-13-25-28(31-14-21)23(15-33(25)17(2)24-6-4-5-11-30-24)20-9-10-26(37(29,34)35)22(12-20)19-7-8-19/h4-6,9-15,17,19H,7-8H2,1-3H3,(H2,29,34,35).
What are the key properties of 2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide?
2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide has a molecular weight of 513.62 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 170305570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).