2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide

C33H26FN7O2 — CID 58345232

IUPAC2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CC(=O)Nc5cccc(F)c5)cc4)c3n2)c1
InChIInChI=1S/C33H26FN7O2/c1-20(42)37-24-7-2-5-22(18-24)28-14-15-29-33(39-28)41(32(40-29)27-9-4-16-36-31(27)35)26-12-10-21(11-13-26)17-30(43)38-25-8-3-6-23(34)19-25/h2-16,18-19H,17H2,1H3,(H2,35,36)(H,37,42)(H,38,43)
InChIKeyXZDBUFJDOOKECF-UHFFFAOYSA-N
MW571.62 g/mol
LogP6.01
Rot. Bonds7

About 2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide

2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide (PubChem CID 58345232) has the molecular formula C33H26FN7O2 and a molecular weight of 571.62 g/mol. Its IUPAC name is 2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide
PubChem CID58345232
Molecular FormulaC33H26FN7O2
Molecular Weight571.62 g/mol
Exact Mass571.21
IUPAC Name2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CC(=O)Nc5cccc(F)c5)cc4)c3n2)c1
InChIInChI=1S/C33H26FN7O2/c1-20(42)37-24-7-2-5-22(18-24)28-14-15-29-33(39-28)41(32(40-29)27-9-4-16-36-31(27)35)26-12-10-21(11-13-26)17-30(43)38-25-8-3-6-23(34)19-25/h2-16,18-19H,17H2,1H3,(H2,35,36)(H,37,42)(H,38,43)
InChIKeyXZDBUFJDOOKECF-UHFFFAOYSA-N
XLogP6.01
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.62
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide 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 2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide (CID 58345232) is 2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide is CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CC(=O)Nc5cccc(F)c5)cc4)c3n2)c1.
What is the InChIKey of 2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is XZDBUFJDOOKECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26FN7O2/c1-20(42)37-24-7-2-5-22(18-24)28-14-15-29-33(39-28)41(32(40-29)27-9-4-16-36-31(27)35)26-12-10-21(11-13-26)17-30(43)38-25-8-3-6-23(34)19-25/h2-16,18-19H,17H2,1H3,(H2,35,36)(H,37,42)(H,38,43).
What are the key properties of 2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide?
2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 571.62 g/mol, XLogP of 6.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 58345232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).