N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride

C29H28ClN7O — CID 67312397

IUPACN-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.Cl
InChIInChI=1S/C29H27N7O.ClH/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29;/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37);1H
InChIKeyPWCTWFTWHAPRGE-UHFFFAOYSA-N
MW526.04 g/mol
LogP5.45
Rot. Bonds5

About N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride

N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride (PubChem CID 67312397) has the molecular formula C29H28ClN7O and a molecular weight of 526.04 g/mol. Its IUPAC name is N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride
PubChem CID67312397
Molecular FormulaC29H28ClN7O
Molecular Weight526.04 g/mol
Exact Mass525.20
IUPAC NameN-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.Cl
InChIInChI=1S/C29H27N7O.ClH/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29;/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37);1H
InChIKeyPWCTWFTWHAPRGE-UHFFFAOYSA-N
XLogP5.45
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.04
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride 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-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride (CID 67312397) is N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride is CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.Cl.
What is the InChIKey of N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride?
The InChIKey is PWCTWFTWHAPRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O.ClH/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29;/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37);1H.
What are the key properties of N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride?
N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride has a molecular weight of 526.04 g/mol, XLogP of 5.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 67312397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).