8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C17H16F3N5 — CID 67341538

IUPAC8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc(-c2cccn3nc(N[C@@H]4CCNC[C@@H]4F)nc23)cc1F
InChIInChI=1S/C17H16F3N5/c18-12-4-3-10(8-13(12)19)11-2-1-7-25-16(11)23-17(24-25)22-15-5-6-21-9-14(15)20/h1-4,7-8,14-15,21H,5-6,9H2,(H,22,24)/t14-,15+/m0/s1
InChIKeyKNYIYEVZDOQZQP-LSDHHAIUSA-N
MW347.34 g/mol
LogP2.79
Rot. Bonds3

About 8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 67341538) has the molecular formula C17H16F3N5 and a molecular weight of 347.34 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67341538
Molecular FormulaC17H16F3N5
Molecular Weight347.34 g/mol
Exact Mass347.14
IUPAC Name8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc(-c2cccn3nc(N[C@@H]4CCNC[C@@H]4F)nc23)cc1F
InChIInChI=1S/C17H16F3N5/c18-12-4-3-10(8-13(12)19)11-2-1-7-25-16(11)23-17(24-25)22-15-5-6-21-9-14(15)20/h1-4,7-8,14-15,21H,5-6,9H2,(H,22,24)/t14-,15+/m0/s1
InChIKeyKNYIYEVZDOQZQP-LSDHHAIUSA-N
XLogP2.79
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67341538) is 8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Fc1ccc(-c2cccn3nc(N[C@@H]4CCNC[C@@H]4F)nc23)cc1F.
What is the InChIKey of 8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is KNYIYEVZDOQZQP-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H16F3N5/c18-12-4-3-10(8-13(12)19)11-2-1-7-25-16(11)23-17(24-25)22-15-5-6-21-9-14(15)20/h1-4,7-8,14-15,21H,5-6,9H2,(H,22,24)/t14-,15+/m0/s1.
What are the key properties of 8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 347.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-difluorophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 67341538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).