N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C27H34N4O3 — CID 164782594

IUPACN-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)(O)CNC(=O)c1c[nH]c2ncc(-c3ccc(C4CCOCC4)c(C4CCCN4)c3)cc12
InChIInChI=1S/C27H34N4O3/c1-27(2,33)16-31-26(32)23-15-30-25-22(23)13-19(14-29-25)18-5-6-20(17-7-10-34-11-8-17)21(12-18)24-4-3-9-28-24/h5-6,12-15,17,24,28,33H,3-4,7-11,16H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyGBDYIPDUTBQKST-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.05
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 164782594) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID164782594
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC NameN-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)(O)CNC(=O)c1c[nH]c2ncc(-c3ccc(C4CCOCC4)c(C4CCCN4)c3)cc12
InChIInChI=1S/C27H34N4O3/c1-27(2,33)16-31-26(32)23-15-30-25-22(23)13-19(14-29-25)18-5-6-20(17-7-10-34-11-8-17)21(12-18)24-4-3-9-28-24/h5-6,12-15,17,24,28,33H,3-4,7-11,16H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyGBDYIPDUTBQKST-UHFFFAOYSA-N
XLogP4.05
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-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 N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 164782594) is N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)(O)CNC(=O)c1c[nH]c2ncc(-c3ccc(C4CCOCC4)c(C4CCCN4)c3)cc12.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is GBDYIPDUTBQKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-27(2,33)16-31-26(32)23-15-30-25-22(23)13-19(14-29-25)18-5-6-20(17-7-10-34-11-8-17)21(12-18)24-4-3-9-28-24/h5-6,12-15,17,24,28,33H,3-4,7-11,16H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 4.05, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 164782594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).