4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C23H27N5O — CID 155757106

IUPAC4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H27N5O/c1-24-23(29)20-13-26-22-19(9-10-25-22)21(20)27-16-11-17-7-8-18(12-16)28(17)14-15-5-3-2-4-6-15/h2-6,9-10,13,16-18H,7-8,11-12,14H2,1H3,(H,24,29)(H2,25,26,27)
InChIKeyWSOAOQMGLBEPQB-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.53
Rot. Bonds5

About 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 155757106) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID155757106
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H27N5O/c1-24-23(29)20-13-26-22-19(9-10-25-22)21(20)27-16-11-17-7-8-18(12-16)28(17)14-15-5-3-2-4-6-15/h2-6,9-10,13,16-18H,7-8,11-12,14H2,1H3,(H,24,29)(H2,25,26,27)
InChIKeyWSOAOQMGLBEPQB-UHFFFAOYSA-N
XLogP3.53
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide 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-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 155757106) is 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2[nH]ccc2c1NC1CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is WSOAOQMGLBEPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-24-23(29)20-13-26-22-19(9-10-25-22)21(20)27-16-11-17-7-8-18(12-16)28(17)14-15-5-3-2-4-6-15/h2-6,9-10,13,16-18H,7-8,11-12,14H2,1H3,(H,24,29)(H2,25,26,27).
What are the key properties of 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 155757106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).