4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine

C29H37N5O2S — CID 138686753

IUPAC4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCC(C)c1c(-c2cn(C)c3ncccc23)[nH]c2ccc(C3CCC(NCC4(S(C)(=O)=O)CC4)CC3)nc12
InChIInChI=1S/C29H37N5O2S/c1-18(2)25-26(22-16-34(3)28-21(22)6-5-15-30-28)33-24-12-11-23(32-27(24)25)19-7-9-20(10-8-19)31-17-29(13-14-29)37(4,35)36/h5-6,11-12,15-16,18-20,31,33H,7-10,13-14,17H2,1-4H3
InChIKeyGPPSYGADGSJJGB-UHFFFAOYSA-N
MW519.72 g/mol
LogP5.43
Rot. Bonds7

About 4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine

4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine (PubChem CID 138686753) has the molecular formula C29H37N5O2S and a molecular weight of 519.72 g/mol. Its IUPAC name is 4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine
PubChem CID138686753
Molecular FormulaC29H37N5O2S
Molecular Weight519.72 g/mol
Exact Mass519.27
IUPAC Name4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCC(C)c1c(-c2cn(C)c3ncccc23)[nH]c2ccc(C3CCC(NCC4(S(C)(=O)=O)CC4)CC3)nc12
InChIInChI=1S/C29H37N5O2S/c1-18(2)25-26(22-16-34(3)28-21(22)6-5-15-30-28)33-24-12-11-23(32-27(24)25)19-7-9-20(10-8-19)31-17-29(13-14-29)37(4,35)36/h5-6,11-12,15-16,18-20,31,33H,7-10,13-14,17H2,1-4H3
InChIKeyGPPSYGADGSJJGB-UHFFFAOYSA-N
XLogP5.43
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.72
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine (CID 138686753) is 4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine is CC(C)c1c(-c2cn(C)c3ncccc23)[nH]c2ccc(C3CCC(NCC4(S(C)(=O)=O)CC4)CC3)nc12.
What is the InChIKey of 4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine?
The InChIKey is GPPSYGADGSJJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2S/c1-18(2)25-26(22-16-34(3)28-21(22)6-5-15-30-28)33-24-12-11-23(32-27(24)25)19-7-9-20(10-8-19)31-17-29(13-14-29)37(4,35)36/h5-6,11-12,15-16,18-20,31,33H,7-10,13-14,17H2,1-4H3.
What are the key properties of 4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine?
4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine has a molecular weight of 519.72 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 138686753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).