[4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone

C20H19F3N4O — CID 118489411

IUPAC[4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
SMILESCc1ccc2nnc(C(=O)N3CCC(c4cccc(F)c4C(F)F)CC3)n2c1
InChIInChI=1S/C20H19F3N4O/c1-12-5-6-16-24-25-19(27(16)11-12)20(28)26-9-7-13(8-10-26)14-3-2-4-15(21)17(14)18(22)23/h2-6,11,13,18H,7-10H2,1H3
InChIKeyHZWXOOGRMSWSPL-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.13
Rot. Bonds3

About [4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone

[4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone (PubChem CID 118489411) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is [4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
PubChem CID118489411
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name[4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
SMILESCc1ccc2nnc(C(=O)N3CCC(c4cccc(F)c4C(F)F)CC3)n2c1
InChIInChI=1S/C20H19F3N4O/c1-12-5-6-16-24-25-19(27(16)11-12)20(28)26-9-7-13(8-10-26)14-3-2-4-15(21)17(14)18(22)23/h2-6,11,13,18H,7-10H2,1H3
InChIKeyHZWXOOGRMSWSPL-UHFFFAOYSA-N
XLogP4.13
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The IUPAC name of [4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone (CID 118489411) is [4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone.
What is the SMILES notation for [4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The canonical SMILES for [4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone is Cc1ccc2nnc(C(=O)N3CCC(c4cccc(F)c4C(F)F)CC3)n2c1.
What is the InChIKey of [4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The InChIKey is HZWXOOGRMSWSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-12-5-6-16-24-25-19(27(16)11-12)20(28)26-9-7-13(8-10-26)14-3-2-4-15(21)17(14)18(22)23/h2-6,11,13,18H,7-10H2,1H3.
What are the key properties of [4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
[4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone has a molecular weight of 388.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(difluoromethyl)-3-fluorophenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone is sourced from PubChem (CID 118489411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).