4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide

C15H11F3N4O2 — CID 139532936

IUPAC4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnn2ccccc12)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C15H11F3N4O2/c16-10-7-9(4-5-13(10)24-15(17)18)14(23)19-8-11-12-3-1-2-6-22(12)21-20-11/h1-7,15H,8H2,(H,19,23)
InChIKeyAHNFVMIHORGZHX-UHFFFAOYSA-N
MW336.27 g/mol
LogP2.40
Rot. Bonds5

About 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide

4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide (PubChem CID 139532936) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide
PubChem CID139532936
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnn2ccccc12)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C15H11F3N4O2/c16-10-7-9(4-5-13(10)24-15(17)18)14(23)19-8-11-12-3-1-2-6-22(12)21-20-11/h1-7,15H,8H2,(H,19,23)
InChIKeyAHNFVMIHORGZHX-UHFFFAOYSA-N
XLogP2.40
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-(Difluoromethoxy)-3-(2-(2-pyridinyl)ethynyl)phenyl)(5,7-dihydro-6H-pyrrolo(3,4-b)pyridin-6-yl)methanone
CID 59548652
4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide
CID 2568535
N-[4-[(3R,4S,5S)-3-amino-5-methyl-4-(triazol-1-yl)piperidin-1-yl]-3-pyridinyl]-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropyridine-2-carboxamide
CID 91937644
N-[(1Z)-1-(1-ethyl-1H-indol-3-yl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 2038965
N-[2-(1H-indol-1-yl)ethyl]-4-methoxybenzamide
CID 3236755
4-(difluoromethoxy)-N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]pyridin-1-ium-3-yl]methyl]benzamide chloride
CID 15945079
N-[2-(2,3-Dihydro-1H-indol-1-YL)-2-(pyridin-3-YL)ethyl]-4-methoxybenzamide
CID 16017332
N-{[4-(Propan-2-yloxy)phenyl]methyl}pyrazolo[1,5-A]pyridine-2-carboxamide
CID 16024936
N-[(1-methylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 24790505
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24791409
N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-4-[[1-(2-pyridinylmethyl)-4-piperidinyl]oxy]benzamide
CID 24817125
N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 72792838

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide (CID 139532936) is 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide is O=C(NCc1nnn2ccccc12)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is AHNFVMIHORGZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c16-10-7-9(4-5-13(10)24-15(17)18)14(23)19-8-11-12-3-1-2-6-22(12)21-20-11/h1-7,15H,8H2,(H,19,23).
What are the key properties of 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide?
4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 336.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 139532936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).