2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C22H26FN5 — CID 97447835

IUPAC2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESFc1cccc(Nc2ccc3nc(C4CCN(C5CCCC5)CC4)nn3c2)c1
InChIInChI=1S/C22H26FN5/c23-17-4-3-5-18(14-17)24-19-8-9-21-25-22(26-28(21)15-19)16-10-12-27(13-11-16)20-6-1-2-7-20/h3-5,8-9,14-16,20,24H,1-2,6-7,10-13H2
InChIKeyCIPLPBAEMLSNMD-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.73
Rot. Bonds4

About 2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine

2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 97447835) has the molecular formula C22H26FN5 and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID97447835
Molecular FormulaC22H26FN5
Molecular Weight379.48 g/mol
Exact Mass379.22
IUPAC Name2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESFc1cccc(Nc2ccc3nc(C4CCN(C5CCCC5)CC4)nn3c2)c1
InChIInChI=1S/C22H26FN5/c23-17-4-3-5-18(14-17)24-19-8-9-21-25-22(26-28(21)15-19)16-10-12-27(13-11-16)20-6-1-2-7-20/h3-5,8-9,14-16,20,24H,1-2,6-7,10-13H2
InChIKeyCIPLPBAEMLSNMD-UHFFFAOYSA-N
XLogP4.73
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 97447835) is 2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for 2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Fc1cccc(Nc2ccc3nc(C4CCN(C5CCCC5)CC4)nn3c2)c1.
What is the InChIKey of 2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is CIPLPBAEMLSNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5/c23-17-4-3-5-18(14-17)24-19-8-9-21-25-22(26-28(21)15-19)16-10-12-27(13-11-16)20-6-1-2-7-20/h3-5,8-9,14-16,20,24H,1-2,6-7,10-13H2.
What are the key properties of 2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 379.48 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 97447835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).