1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide

C20H21FN4O — CID 78810305

IUPAC1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C20H21FN4O/c21-16-7-5-6-15(14-16)20(10-2-3-11-20)19(26)22-12-9-18-24-23-17-8-1-4-13-25(17)18/h1,4-8,13-14H,2-3,9-12H2,(H,22,26)
InChIKeyZBYXDBINOIEPHC-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.04
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide

1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 78810305) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID78810305
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C20H21FN4O/c21-16-7-5-6-15(14-16)20(10-2-3-11-20)19(26)22-12-9-18-24-23-17-8-1-4-13-25(17)18/h1,4-8,13-14H,2-3,9-12H2,(H,22,26)
InChIKeyZBYXDBINOIEPHC-UHFFFAOYSA-N
XLogP3.04
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 81494211
4-(4-methylphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxane-4-carboxamide
CID 91947473
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide
CID 34001762
N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 119547553
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
1-(3,4-dimethylphenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 39643764
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119495759
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 60557792
N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 86922420
2-[1-(pyrrol-1-ylmethyl)cyclohexyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 125432201

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide (CID 78810305) is 1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide is O=C(NCCc1nnc2ccccn12)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is ZBYXDBINOIEPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-16-7-5-6-15(14-16)20(10-2-3-11-20)19(26)22-12-9-18-24-23-17-8-1-4-13-25(17)18/h1,4-8,13-14H,2-3,9-12H2,(H,22,26).
What are the key properties of 1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide?
1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 78810305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).