5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C23H18F6N6 — CID 87364559

IUPAC5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc(-c2cccc3nc(NC4CCN(c5ccnc(C(F)(F)F)c5)CC4F)nn23)cc1F
InChIInChI=1S/C23H18F6N6/c24-15-5-4-13(10-16(15)25)19-2-1-3-21-32-22(33-35(19)21)31-18-7-9-34(12-17(18)26)14-6-8-30-20(11-14)23(27,28)29/h1-6,8,10-11,17-18H,7,9,12H2,(H,31,33)
InChIKeyUXUIGFSPSZOTSB-UHFFFAOYSA-N
MW492.43 g/mol
LogP5.12
Rot. Bonds4

About 5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 87364559) has the molecular formula C23H18F6N6 and a molecular weight of 492.43 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID87364559
Molecular FormulaC23H18F6N6
Molecular Weight492.43 g/mol
Exact Mass492.15
IUPAC Name5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc(-c2cccc3nc(NC4CCN(c5ccnc(C(F)(F)F)c5)CC4F)nn23)cc1F
InChIInChI=1S/C23H18F6N6/c24-15-5-4-13(10-16(15)25)19-2-1-3-21-32-22(33-35(19)21)31-18-7-9-34(12-17(18)26)14-6-8-30-20(11-14)23(27,28)29/h1-6,8,10-11,17-18H,7,9,12H2,(H,31,33)
InChIKeyUXUIGFSPSZOTSB-UHFFFAOYSA-N
XLogP5.12
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 87364559) is 5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Fc1ccc(-c2cccc3nc(NC4CCN(c5ccnc(C(F)(F)F)c5)CC4F)nn23)cc1F.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is UXUIGFSPSZOTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N6/c24-15-5-4-13(10-16(15)25)19-2-1-3-21-32-22(33-35(19)21)31-18-7-9-34(12-17(18)26)14-6-8-30-20(11-14)23(27,28)29/h1-6,8,10-11,17-18H,7,9,12H2,(H,31,33).
What are the key properties of 5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 492.43 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-[3-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 87364559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).