7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile

C21H19F4N5O — CID 57459482

IUPAC7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
SMILESCOc1c(F)cccc1C1CCN(c2ccn3c(CC(F)(F)F)nnc3c2C#N)CC1
InChIInChI=1S/C21H19F4N5O/c1-31-19-14(3-2-4-16(19)22)13-5-8-29(9-6-13)17-7-10-30-18(11-21(23,24)25)27-28-20(30)15(17)12-26/h2-4,7,10,13H,5-6,8-9,11H2,1H3
InChIKeyKIKMVMBYJOLYAG-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.24
Rot. Bonds4

About 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile

7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile (PubChem CID 57459482) has the molecular formula C21H19F4N5O and a molecular weight of 433.41 g/mol. Its IUPAC name is 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
PubChem CID57459482
Molecular FormulaC21H19F4N5O
Molecular Weight433.41 g/mol
Exact Mass433.15
IUPAC Name7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
SMILESCOc1c(F)cccc1C1CCN(c2ccn3c(CC(F)(F)F)nnc3c2C#N)CC1
InChIInChI=1S/C21H19F4N5O/c1-31-19-14(3-2-4-16(19)22)13-5-8-29(9-6-13)17-7-10-30-18(11-21(23,24)25)27-28-20(30)15(17)12-26/h2-4,7,10,13H,5-6,8-9,11H2,1H3
InChIKeyKIKMVMBYJOLYAG-UHFFFAOYSA-N
XLogP4.24
TPSA66.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile with MolForge

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Related Compounds

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5-Fluoro-4-[[[8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
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8-Chloro-3-(cyclopropylmethyl)-7-[4-(5-fluoro-2-methoxyphenyl)-1-piperidinyl]-1,2,4-triazolo[4,3-a]pyridine
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8-Chloro-3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
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CID 57459497
CID 57459497

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The IUPAC name of 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile (CID 57459482) is 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile is COc1c(F)cccc1C1CCN(c2ccn3c(CC(F)(F)F)nnc3c2C#N)CC1.
What is the InChIKey of 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The InChIKey is KIKMVMBYJOLYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N5O/c1-31-19-14(3-2-4-16(19)22)13-5-8-29(9-6-13)17-7-10-30-18(11-21(23,24)25)27-28-20(30)15(17)12-26/h2-4,7,10,13H,5-6,8-9,11H2,1H3.
What are the key properties of 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile has a molecular weight of 433.41 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile is sourced from PubChem (CID 57459482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).