(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone

C17H14F2N4O — CID 46528446

IUPAC(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCCC1c1nnc2ccccn12
InChIInChI=1S/C17H14F2N4O/c18-11-6-7-12(13(19)10-11)17(24)22-9-3-4-14(22)16-21-20-15-5-1-2-8-23(15)16/h1-2,5-8,10,14H,3-4,9H2
InChIKeyCXQIEFUNEKMGJZ-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.98
Rot. Bonds2

About (2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone

(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 46528446) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID46528446
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCCC1c1nnc2ccccn12
InChIInChI=1S/C17H14F2N4O/c18-11-6-7-12(13(19)10-11)17(24)22-9-3-4-14(22)16-21-20-15-5-1-2-8-23(15)16/h1-2,5-8,10,14H,3-4,9H2
InChIKeyCXQIEFUNEKMGJZ-UHFFFAOYSA-N
XLogP2.98
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 46472400
(2,5-dimethylthiophen-3-yl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 51648513
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 37342266
(3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 26004078
(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 46637490
[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 42944454
2-cyclopent-2-en-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 45351531
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 42934174
(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 42938687
1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 42924146
(3-methoxy-4-propan-2-yloxyphenyl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 51925753
3-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 18096917

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 46528446) is (2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(F)cc1F)N1CCCC1c1nnc2ccccn12.
What is the InChIKey of (2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is CXQIEFUNEKMGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c18-11-6-7-12(13(19)10-11)17(24)22-9-3-4-14(22)16-21-20-15-5-1-2-8-23(15)16/h1-2,5-8,10,14H,3-4,9H2.
What are the key properties of (2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 328.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 46528446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).