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

C29H21FN6O2 — CID 70941716

IUPAC4-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-2-benzyl-3-fluorobenzamide
SMILESNC(=O)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccoc4)nc32)c(F)c1Cc1ccccc1
InChIInChI=1S/C29H21FN6O2/c30-25-21(15-17-5-2-1-3-6-17)19(27(32)37)8-11-24(25)36-28(20-7-4-13-33-26(20)31)35-23-10-9-22(34-29(23)36)18-12-14-38-16-18/h1-14,16H,15H2,(H2,31,33)(H2,32,37)
InChIKeyPKVMNADFIIXMRU-UHFFFAOYSA-N
MW504.53 g/mol
LogP5.15
Rot. Bonds6

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

4-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-2-benzyl-3-fluorobenzamide (PubChem CID 70941716) has the molecular formula C29H21FN6O2 and a molecular weight of 504.53 g/mol. Its IUPAC name is 4-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-2-benzyl-3-fluorobenzamide.

Molecular Properties

Compound Name4-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-2-benzyl-3-fluorobenzamide
PubChem CID70941716
Molecular FormulaC29H21FN6O2
Molecular Weight504.53 g/mol
Exact Mass504.17
IUPAC Name4-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-2-benzyl-3-fluorobenzamide
SMILESNC(=O)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccoc4)nc32)c(F)c1Cc1ccccc1
InChIInChI=1S/C29H21FN6O2/c30-25-21(15-17-5-2-1-3-6-17)19(27(32)37)8-11-24(25)36-28(20-7-4-13-33-26(20)31)35-23-10-9-22(34-29(23)36)18-12-14-38-16-18/h1-14,16H,15H2,(H2,31,33)(H2,32,37)
InChIKeyPKVMNADFIIXMRU-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 4-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-2-benzyl-3-fluorobenzamide?
The IUPAC name of 4-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-2-benzyl-3-fluorobenzamide (CID 70941716) is 4-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-2-benzyl-3-fluorobenzamide.
What is the SMILES notation for 4-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-2-benzyl-3-fluorobenzamide?
The canonical SMILES for 4-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-2-benzyl-3-fluorobenzamide is NC(=O)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccoc4)nc32)c(F)c1Cc1ccccc1.
What is the InChIKey of 4-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-2-benzyl-3-fluorobenzamide?
The InChIKey is PKVMNADFIIXMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN6O2/c30-25-21(15-17-5-2-1-3-6-17)19(27(32)37)8-11-24(25)36-28(20-7-4-13-33-26(20)31)35-23-10-9-22(34-29(23)36)18-12-14-38-16-18/h1-14,16H,15H2,(H2,31,33)(H2,32,37).
What are the key properties of 4-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-2-benzyl-3-fluorobenzamide?
4-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-2-benzyl-3-fluorobenzamide 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 4-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-2-benzyl-3-fluorobenzamide is sourced from PubChem (CID 70941716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).