N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine

C29H30N4O4S — CID 67147532

IUPACN-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine
SMILESCOc1cc2c(-c3cc4c(CNC5CC5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC
InChIInChI=1S/C29H30N4O4S/c1-18-5-9-21(10-6-18)38(34,35)33-26(13-22-19(11-12-30-29(22)33)16-31-20-7-8-20)24-17-32(2)25-15-28(37-4)27(36-3)14-23(24)25/h5-6,9-15,17,20,31H,7-8,16H2,1-4H3
InChIKeyQRKOBWOEHYSIRK-UHFFFAOYSA-N
MW530.65 g/mol
LogP5.01
Rot. Bonds8

About N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine

N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine (PubChem CID 67147532) has the molecular formula C29H30N4O4S and a molecular weight of 530.65 g/mol. Its IUPAC name is N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine
PubChem CID67147532
Molecular FormulaC29H30N4O4S
Molecular Weight530.65 g/mol
Exact Mass530.20
IUPAC NameN-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine
SMILESCOc1cc2c(-c3cc4c(CNC5CC5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC
InChIInChI=1S/C29H30N4O4S/c1-18-5-9-21(10-6-18)38(34,35)33-26(13-22-19(11-12-30-29(22)33)16-31-20-7-8-20)24-17-32(2)25-15-28(37-4)27(36-3)14-23(24)25/h5-6,9-15,17,20,31H,7-8,16H2,1-4H3
InChIKeyQRKOBWOEHYSIRK-UHFFFAOYSA-N
XLogP5.01
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.65
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine 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

N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]-4-piperidin-1-ylaniline
CID 67147698
2-[6-[2-(2-chloroethoxy)ethoxy]-5-methoxy-1-methylindol-3-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 67147647
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine
CID 67147632
methyl 3-[1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indol-5-yl]propanoate
CID 150348349
7,8-dimethoxy-5-[[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]methyl]benzo[e]isoindole-1,3-dione
CID 91937766
2-[5-methoxy-1-(2-methoxy-2-oxoethyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indol-6-yl]oxybutanedioic acid
CID 67147664
1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine
CID 91482964
2-[4-[3-[5,6-dimethoxy-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indol-1-yl]propyl]piperazin-1-yl]ethanol;2,2,2-trifluoroacetic acid
CID 67147737
tert-butyl N-[4-[[2-(5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methylamino]cyclohexyl]carbamate
CID 69480303
2-(5-methoxy-6-phenylmethoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 22477397
4-chloro-2-(1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 141080529
4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 164572996

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine (CID 67147532) is N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine is COc1cc2c(-c3cc4c(CNC5CC5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC.
What is the InChIKey of N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine?
The InChIKey is QRKOBWOEHYSIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4S/c1-18-5-9-21(10-6-18)38(34,35)33-26(13-22-19(11-12-30-29(22)33)16-31-20-7-8-20)24-17-32(2)25-15-28(37-4)27(36-3)14-23(24)25/h5-6,9-15,17,20,31H,7-8,16H2,1-4H3.
What are the key properties of N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine?
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine has a molecular weight of 530.65 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 67147532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).