N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide

C19H16FN5O2 — CID 175643763

IUPACN-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnc3c(c2)ncn3C2CCOCC2)ccc1F
InChIInChI=1S/C19H16FN5O2/c20-16-2-1-14(7-12(16)9-21)24-19(26)13-8-17-18(22-10-13)25(11-23-17)15-3-5-27-6-4-15/h1-2,7-8,10-11,15H,3-6H2,(H,24,26)
InChIKeyNLFYZWWIMQEEHY-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.05
Rot. Bonds3

About N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide

N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 175643763) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID175643763
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC NameN-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnc3c(c2)ncn3C2CCOCC2)ccc1F
InChIInChI=1S/C19H16FN5O2/c20-16-2-1-14(7-12(16)9-21)24-19(26)13-8-17-18(22-10-13)25(11-23-17)15-3-5-27-6-4-15/h1-2,7-8,10-11,15H,3-6H2,(H,24,26)
InChIKeyNLFYZWWIMQEEHY-UHFFFAOYSA-N
XLogP3.05
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175645216
N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644255
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63978798
3-cyclopropyl-N-(2-morpholin-4-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644669
3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175641054
N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 62315667
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504000
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503974
N-(3-cyano-4-fluorophenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]acetyl]pyrrole-3-carboxamide
CID 139551657
N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-1-(3,4-difluorophenyl)-5-methylpyrazole-4-carboxamide
CID 22227981
[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 176503897
2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 113255679

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (CID 175643763) is N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is N#Cc1cc(NC(=O)c2cnc3c(c2)ncn3C2CCOCC2)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is NLFYZWWIMQEEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-16-2-1-14(7-12(16)9-21)24-19(26)13-8-17-18(22-10-13)25(11-23-17)15-3-5-27-6-4-15/h1-2,7-8,10-11,15H,3-6H2,(H,24,26).
What are the key properties of N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 175643763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).