N-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide

C18H17BrFN5O — CID 46286538

IUPACN-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)N1CCC(n2cnc3cccnc32)CC1
InChIInChI=1S/C18H17BrFN5O/c19-12-3-4-15(14(20)10-12)23-18(26)24-8-5-13(6-9-24)25-11-22-16-2-1-7-21-17(16)25/h1-4,7,10-11,13H,5-6,8-9H2,(H,23,26)
InChIKeyWAKDCDSXPQARND-UHFFFAOYSA-N
MW418.27 g/mol
LogP4.20
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide

N-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 46286538) has the molecular formula C18H17BrFN5O and a molecular weight of 418.27 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
PubChem CID46286538
Molecular FormulaC18H17BrFN5O
Molecular Weight418.27 g/mol
Exact Mass417.06
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)N1CCC(n2cnc3cccnc32)CC1
InChIInChI=1S/C18H17BrFN5O/c19-12-3-4-15(14(20)10-12)23-18(26)24-8-5-13(6-9-24)25-11-22-16-2-1-7-21-17(16)25/h1-4,7,10-11,13H,5-6,8-9H2,(H,23,26)
InChIKeyWAKDCDSXPQARND-UHFFFAOYSA-N
XLogP4.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide (CID 46286538) is N-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide is O=C(Nc1ccc(Br)cc1F)N1CCC(n2cnc3cccnc32)CC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is WAKDCDSXPQARND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN5O/c19-12-3-4-15(14(20)10-12)23-18(26)24-8-5-13(6-9-24)25-11-22-16-2-1-7-21-17(16)25/h1-4,7,10-11,13H,5-6,8-9H2,(H,23,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 418.27 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 46286538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).