2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide

C29H21FN6O2 — CID 89120434

IUPAC2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide
SMILESNc1ncccc1-c1c(C(=O)NCc2ccccc2)cc(-c2ccoc2)c(-n2cnc3cccnc32)c1F
InChIInChI=1S/C29H21FN6O2/c30-25-24(20-8-4-11-32-27(20)31)22(29(37)34-15-18-6-2-1-3-7-18)14-21(19-10-13-38-16-19)26(25)36-17-35-23-9-5-12-33-28(23)36/h1-14,16-17H,15H2,(H2,31,32)(H,34,37)
InChIKeyXHIGLFXHSKPYTJ-UHFFFAOYSA-N
MW504.53 g/mol
LogP5.39
Rot. Bonds6

About 2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide

2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide (PubChem CID 89120434) has the molecular formula C29H21FN6O2 and a molecular weight of 504.53 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide
PubChem CID89120434
Molecular FormulaC29H21FN6O2
Molecular Weight504.53 g/mol
Exact Mass504.17
IUPAC Name2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide
SMILESNc1ncccc1-c1c(C(=O)NCc2ccccc2)cc(-c2ccoc2)c(-n2cnc3cccnc32)c1F
InChIInChI=1S/C29H21FN6O2/c30-25-24(20-8-4-11-32-27(20)31)22(29(37)34-15-18-6-2-1-3-7-18)14-21(19-10-13-38-16-19)26(25)36-17-35-23-9-5-12-33-28(23)36/h1-14,16-17H,15H2,(H2,31,32)(H,34,37)
InChIKeyXHIGLFXHSKPYTJ-UHFFFAOYSA-N
XLogP5.39
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.53
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide 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-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide?
The IUPAC name of 2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide (CID 89120434) is 2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide is Nc1ncccc1-c1c(C(=O)NCc2ccccc2)cc(-c2ccoc2)c(-n2cnc3cccnc32)c1F.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide?
The InChIKey is XHIGLFXHSKPYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN6O2/c30-25-24(20-8-4-11-32-27(20)31)22(29(37)34-15-18-6-2-1-3-7-18)14-21(19-10-13-38-16-19)26(25)36-17-35-23-9-5-12-33-28(23)36/h1-14,16-17H,15H2,(H2,31,32)(H,34,37).
What are the key properties of 2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide?
2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide has a molecular weight of 504.53 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-N-benzyl-3-fluoro-5-(furan-3-yl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide is sourced from PubChem (CID 89120434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).