N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide

C23H20FN5O — CID 72710598

IUPACN-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2nc3ncc(-c4ccccc4)cc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C23H20FN5O/c24-19-9-8-17(26-23(30)29-10-4-5-11-29)13-18(19)21-27-20-12-16(14-25-22(20)28-21)15-6-2-1-3-7-15/h1-3,6-9,12-14H,4-5,10-11H2,(H,26,30)(H,25,27,28)
InChIKeyUWIHILLUGAWUQF-UHFFFAOYSA-N
MW401.45 g/mol
LogP5.06
Rot. Bonds3

About N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide

N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 72710598) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID72710598
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC NameN-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2nc3ncc(-c4ccccc4)cc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C23H20FN5O/c24-19-9-8-17(26-23(30)29-10-4-5-11-29)13-18(19)21-27-20-12-16(14-25-22(20)28-21)15-6-2-1-3-7-15/h1-3,6-9,12-14H,4-5,10-11H2,(H,26,30)(H,25,27,28)
InChIKeyUWIHILLUGAWUQF-UHFFFAOYSA-N
XLogP5.06
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.45
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide (CID 72710598) is N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)c(-c2nc3ncc(-c4ccccc4)cc3[nH]2)c1)N1CCCC1.
What is the InChIKey of N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is UWIHILLUGAWUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c24-19-9-8-17(26-23(30)29-10-4-5-11-29)13-18(19)21-27-20-12-16(14-25-22(20)28-21)15-6-2-1-3-7-15/h1-3,6-9,12-14H,4-5,10-11H2,(H,26,30)(H,25,27,28).
What are the key properties of N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide?
N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 72710598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).