[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol

C18H13F3N6O — CID 44555754

IUPAC[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
SMILESOCc1cc(Nc2nc3cccc(-c4ccnc(C(F)(F)F)c4)n3n2)ccn1
InChIInChI=1S/C18H13F3N6O/c19-18(20,21)15-8-11(4-6-23-15)14-2-1-3-16-25-17(26-27(14)16)24-12-5-7-22-13(9-12)10-28/h1-9,28H,10H2,(H,22,24,26)
InChIKeyBDNUQPVZETXEDV-UHFFFAOYSA-N
MW386.34 g/mol
LogP3.44
Rot. Bonds4

About [4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol

[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol (PubChem CID 44555754) has the molecular formula C18H13F3N6O and a molecular weight of 386.34 g/mol. Its IUPAC name is [4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
PubChem CID44555754
Molecular FormulaC18H13F3N6O
Molecular Weight386.34 g/mol
Exact Mass386.11
IUPAC Name[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
SMILESOCc1cc(Nc2nc3cccc(-c4ccnc(C(F)(F)F)c4)n3n2)ccn1
InChIInChI=1S/C18H13F3N6O/c19-18(20,21)15-8-11(4-6-23-15)14-2-1-3-16-25-17(26-27(14)16)24-12-5-7-22-13(9-12)10-28/h1-9,28H,10H2,(H,22,24,26)
InChIKeyBDNUQPVZETXEDV-UHFFFAOYSA-N
XLogP3.44
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol?
The IUPAC name of [4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol (CID 44555754) is [4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol?
The canonical SMILES for [4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol is OCc1cc(Nc2nc3cccc(-c4ccnc(C(F)(F)F)c4)n3n2)ccn1.
What is the InChIKey of [4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol?
The InChIKey is BDNUQPVZETXEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O/c19-18(20,21)15-8-11(4-6-23-15)14-2-1-3-16-25-17(26-27(14)16)24-12-5-7-22-13(9-12)10-28/h1-9,28H,10H2,(H,22,24,26).
What are the key properties of [4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol?
[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol has a molecular weight of 386.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol is sourced from PubChem (CID 44555754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).