N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine

C32H37N5O4S — CID 67147632

IUPACN-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine
SMILESCOc1cc2c(-c3cc4c(C(NC5CCN(C)CC5)S(=O)(=O)c5ccc(C)cc5)ccnc4[nH]3)cn(C)c2cc1OC
InChIInChI=1S/C32H37N5O4S/c1-20-6-8-22(9-7-20)42(38,39)32(34-21-11-14-36(2)15-12-21)23-10-13-33-31-25(23)16-27(35-31)26-19-37(3)28-18-30(41-5)29(40-4)17-24(26)28/h6-10,13,16-19,21,32,34H,11-12,14-15H2,1-5H3,(H,33,35)
InChIKeyBPQOPSKGRFPIBF-UHFFFAOYSA-N
MW587.75 g/mol
LogP5.20
Rot. Bonds8

About N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine

N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine (PubChem CID 67147632) has the molecular formula C32H37N5O4S and a molecular weight of 587.75 g/mol. Its IUPAC name is N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine
PubChem CID67147632
Molecular FormulaC32H37N5O4S
Molecular Weight587.75 g/mol
Exact Mass587.26
IUPAC NameN-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine
SMILESCOc1cc2c(-c3cc4c(C(NC5CCN(C)CC5)S(=O)(=O)c5ccc(C)cc5)ccnc4[nH]3)cn(C)c2cc1OC
InChIInChI=1S/C32H37N5O4S/c1-20-6-8-22(9-7-20)42(38,39)32(34-21-11-14-36(2)15-12-21)23-10-13-33-31-25(23)16-27(35-31)26-19-37(3)28-18-30(41-5)29(40-4)17-24(26)28/h6-10,13,16-19,21,32,34H,11-12,14-15H2,1-5H3,(H,33,35)
InChIKeyBPQOPSKGRFPIBF-UHFFFAOYSA-N
XLogP5.20
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.75
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine 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)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-2-ethoxyethanamine
CID 91175099
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 67147740
[1-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]azetidin-3-yl]methylcarbamic acid
CID 142685657
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine
CID 67147532
4-[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-phenylbutan-1-amine
CID 67147725
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-2-thiophen-2-ylethanamine
CID 67147510
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 67147563
6-methoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-ol
CID 22477195
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
4-(5-methoxy-1-methylindol-3-yl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58382433
2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 22477297
N-(1-methylpiperidin-4-yl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 68632268

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine?
The IUPAC name of 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) is N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine is COc1cc2c(-c3cc4c(C(NC5CCN(C)CC5)S(=O)(=O)c5ccc(C)cc5)ccnc4[nH]3)cn(C)c2cc1OC.
What is the InChIKey of N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine?
The InChIKey is BPQOPSKGRFPIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4S/c1-20-6-8-22(9-7-20)42(38,39)32(34-21-11-14-36(2)15-12-21)23-10-13-33-31-25(23)16-27(35-31)26-19-37(3)28-18-30(41-5)29(40-4)17-24(26)28/h6-10,13,16-19,21,32,34H,11-12,14-15H2,1-5H3,(H,33,35).
What are the key properties of N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine?
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine has a molecular weight of 587.75 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 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)-1H-pyrrolo[2,3-b]pyridin-4-yl]-(4-methylphenyl)sulfonylmethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 67147632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).