2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide

C29H21FN6O2 — CID 89120436

IUPAC2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide
SMILESNC(=O)c1c(-c2cccnc2N)c(F)c(Cc2ccccc2)c(-c2ccoc2)c1-n1cnc2cccnc21
InChIInChI=1S/C29H21FN6O2/c30-25-20(14-17-6-2-1-3-7-17)22(18-10-13-38-15-18)26(36-16-35-21-9-5-12-34-29(21)36)24(28(32)37)23(25)19-8-4-11-33-27(19)31/h1-13,15-16H,14H2,(H2,31,33)(H2,32,37)
InChIKeyWZOZEIFGRSAZAD-UHFFFAOYSA-N
MW504.53 g/mol
LogP5.15
Rot. Bonds6

About 2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide

2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide (PubChem CID 89120436) has the molecular formula C29H21FN6O2 and a molecular weight of 504.53 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide
PubChem CID89120436
Molecular FormulaC29H21FN6O2
Molecular Weight504.53 g/mol
Exact Mass504.17
IUPAC Name2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide
SMILESNC(=O)c1c(-c2cccnc2N)c(F)c(Cc2ccccc2)c(-c2ccoc2)c1-n1cnc2cccnc21
InChIInChI=1S/C29H21FN6O2/c30-25-20(14-17-6-2-1-3-7-17)22(18-10-13-38-15-18)26(36-16-35-21-9-5-12-34-29(21)36)24(28(32)37)23(25)19-8-4-11-33-27(19)31/h1-13,15-16H,14H2,(H2,31,33)(H2,32,37)
InChIKeyWZOZEIFGRSAZAD-UHFFFAOYSA-N
XLogP5.15
TPSA125.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.53
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide?
The IUPAC name of 2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide (CID 89120436) is 2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide is NC(=O)c1c(-c2cccnc2N)c(F)c(Cc2ccccc2)c(-c2ccoc2)c1-n1cnc2cccnc21.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide?
The InChIKey is WZOZEIFGRSAZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN6O2/c30-25-20(14-17-6-2-1-3-7-17)22(18-10-13-38-15-18)26(36-16-35-21-9-5-12-34-29(21)36)24(28(32)37)23(25)19-8-4-11-33-27(19)31/h1-13,15-16H,14H2,(H2,31,33)(H2,32,37).
What are the key properties of 2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide?
2-(2-amino-3-pyridinyl)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide has a molecular weight of 504.53 g/mol, XLogP of 5.15, 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)-4-benzyl-3-fluoro-5-(furan-3-yl)-6-imidazo[4,5-b]pyridin-3-ylbenzamide is sourced from PubChem (CID 89120436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).