N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide

C18H14FN5O2 — CID 122540738

IUPACN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)Nc2cc(-c3ccc(C#N)c(F)c3)n3ncnc3c2)COC1
InChIInChI=1S/C18H14FN5O2/c1-18(8-26-9-18)17(25)23-13-5-15(24-16(6-13)21-10-22-24)11-2-3-12(7-20)14(19)4-11/h2-6,10H,8-9H2,1H3,(H,23,25)
InChIKeyFSIXIAPEJFNDOD-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.38
Rot. Bonds3

About N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide

N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide (PubChem CID 122540738) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide
PubChem CID122540738
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC NameN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)Nc2cc(-c3ccc(C#N)c(F)c3)n3ncnc3c2)COC1
InChIInChI=1S/C18H14FN5O2/c1-18(8-26-9-18)17(25)23-13-5-15(24-16(6-13)21-10-22-24)11-2-3-12(7-20)14(19)4-11/h2-6,10H,8-9H2,1H3,(H,23,25)
InChIKeyFSIXIAPEJFNDOD-UHFFFAOYSA-N
XLogP2.38
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea
CID 122540282
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide
CID 122540403
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide
CID 122540762
oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
CID 122540679
2-fluoro-4-[7-[(3-phenyloxetan-3-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
CID 122540420
N-[5-(4-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide
CID 122540630
N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide
CID 167232888
4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
CID 122540396
4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
CID 159107801
5-(4-cyanophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 122540294
7-[3-(4-acetyl-2,2,3,3-tetradeuterio-5,5-dimethyl-6-oxopiperazin-1-yl)-4-fluorophenyl]-4-aminopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 130363230
tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
CID 140850306

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide?
The IUPAC name of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide (CID 122540738) is N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide is CC1(C(=O)Nc2cc(-c3ccc(C#N)c(F)c3)n3ncnc3c2)COC1.
What is the InChIKey of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide?
The InChIKey is FSIXIAPEJFNDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-18(8-26-9-18)17(25)23-13-5-15(24-16(6-13)21-10-22-24)11-2-3-12(7-20)14(19)4-11/h2-6,10H,8-9H2,1H3,(H,23,25).
What are the key properties of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide?
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 122540738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).