3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine

C21H22F2N4 — CID 138488068

IUPAC3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC1(F)CC1Cc1nnc2cc(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C21H22F2N4/c22-21(23)14-17(21)12-19-24-25-20-13-18(8-11-27(19)20)26-9-6-16(7-10-26)15-4-2-1-3-5-15/h1-5,8,11,13,16-17H,6-7,9-10,12,14H2
InChIKeyLFIUOIMZGKGOJA-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.31
Rot. Bonds4

About 3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine

3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 138488068) has the molecular formula C21H22F2N4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID138488068
Molecular FormulaC21H22F2N4
Molecular Weight368.43 g/mol
Exact Mass368.18
IUPAC Name3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC1(F)CC1Cc1nnc2cc(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C21H22F2N4/c22-21(23)14-17(21)12-19-24-25-20-13-18(8-11-27(19)20)26-9-6-16(7-10-26)15-4-2-1-3-5-15/h1-5,8,11,13,16-17H,6-7,9-10,12,14H2
InChIKeyLFIUOIMZGKGOJA-UHFFFAOYSA-N
XLogP4.31
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 138488068) is 3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine is FC1(F)CC1Cc1nnc2cc(N3CCC(c4ccccc4)CC3)ccn12.
What is the InChIKey of 3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LFIUOIMZGKGOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4/c22-21(23)14-17(21)12-19-24-25-20-13-18(8-11-27(19)20)26-9-6-16(7-10-26)15-4-2-1-3-5-15/h1-5,8,11,13,16-17H,6-7,9-10,12,14H2.
What are the key properties of 3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 368.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 138488068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).