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

C18H14FN5O3 — CID 122540679

IUPACoxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
SMILESN#Cc1ccc(-c2cc(NC(=O)OC3CCOC3)cc3ncnn23)cc1F
InChIInChI=1S/C18H14FN5O3/c19-15-5-11(1-2-12(15)8-20)16-6-13(7-17-21-10-22-24(16)17)23-18(25)27-14-3-4-26-9-14/h1-2,5-7,10,14H,3-4,9H2,(H,23,25)
InChIKeyUXBPOYIPTITXBH-UHFFFAOYSA-N
MW367.34 g/mol
LogP2.74
Rot. Bonds3

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

oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate (PubChem CID 122540679) has the molecular formula C18H14FN5O3 and a molecular weight of 367.34 g/mol. Its IUPAC name is oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
PubChem CID122540679
Molecular FormulaC18H14FN5O3
Molecular Weight367.34 g/mol
Exact Mass367.11
IUPAC Nameoxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
SMILESN#Cc1ccc(-c2cc(NC(=O)OC3CCOC3)cc3ncnn23)cc1F
InChIInChI=1S/C18H14FN5O3/c19-15-5-11(1-2-12(15)8-20)16-6-13(7-17-21-10-22-24(16)17)23-18(25)27-14-3-4-26-9-14/h1-2,5-7,10,14H,3-4,9H2,(H,23,25)
InChIKeyUXBPOYIPTITXBH-UHFFFAOYSA-N
XLogP2.74
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate with MolForge

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Related Compounds

N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide
CID 122540762
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide
CID 122540738
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
2-fluoro-4-[7-[(3-phenyloxetan-3-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
CID 122540420
4-[7-[(oxolan-3-ylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
CID 122540466
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
[(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate
CID 20775674
4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
CID 134336158
[4-[3-(4-cyano-3-fluorophenyl)-4-(3-fluoro-4-methoxyphenyl)-5-(oxolan-3-yloxy)pyrazol-1-yl]cyclohexyl] carbamate
CID 175479181
[(3S)-oxolan-3-yl] N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutylphenyl]carbamate
CID 66548503

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate?
The IUPAC name of oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate (CID 122540679) is oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate.
What is the SMILES notation for oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate?
The canonical SMILES for oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate is N#Cc1ccc(-c2cc(NC(=O)OC3CCOC3)cc3ncnn23)cc1F.
What is the InChIKey of oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate?
The InChIKey is UXBPOYIPTITXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O3/c19-15-5-11(1-2-12(15)8-20)16-6-13(7-17-21-10-22-24(16)17)23-18(25)27-14-3-4-26-9-14/h1-2,5-7,10,14H,3-4,9H2,(H,23,25).
What are the key properties of oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate?
oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate has a molecular weight of 367.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate is sourced from PubChem (CID 122540679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).