[3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol

C23H21F3N6O — CID 67799881

IUPAC[3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol
SMILESCc1cn(-c2ccc(-c3nc4n(n3)CCCC4c3ccccc3C(F)(F)F)nc2CO)cn1
InChIInChI=1S/C23H21F3N6O/c1-14-11-31(13-27-14)20-9-8-18(28-19(20)12-33)21-29-22-16(6-4-10-32(22)30-21)15-5-2-3-7-17(15)23(24,25)26/h2-3,5,7-9,11,13,16,33H,4,6,10,12H2,1H3
InChIKeyFQDPWRRCECSNPM-UHFFFAOYSA-N
MW454.46 g/mol
LogP4.27
Rot. Bonds4

About [3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol

[3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol (PubChem CID 67799881) has the molecular formula C23H21F3N6O and a molecular weight of 454.46 g/mol. Its IUPAC name is [3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol
PubChem CID67799881
Molecular FormulaC23H21F3N6O
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC Name[3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol
SMILESCc1cn(-c2ccc(-c3nc4n(n3)CCCC4c3ccccc3C(F)(F)F)nc2CO)cn1
InChIInChI=1S/C23H21F3N6O/c1-14-11-31(13-27-14)20-9-8-18(28-19(20)12-33)21-29-22-16(6-4-10-32(22)30-21)15-5-2-3-7-17(15)23(24,25)26/h2-3,5,7-9,11,13,16,33H,4,6,10,12H2,1H3
InChIKeyFQDPWRRCECSNPM-UHFFFAOYSA-N
XLogP4.27
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol?
The IUPAC name of [3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol (CID 67799881) is [3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol?
The canonical SMILES for [3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol is Cc1cn(-c2ccc(-c3nc4n(n3)CCCC4c3ccccc3C(F)(F)F)nc2CO)cn1.
What is the InChIKey of [3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol?
The InChIKey is FQDPWRRCECSNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O/c1-14-11-31(13-27-14)20-9-8-18(28-19(20)12-33)21-29-22-16(6-4-10-32(22)30-21)15-5-2-3-7-17(15)23(24,25)26/h2-3,5,7-9,11,13,16,33H,4,6,10,12H2,1H3.
What are the key properties of [3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol?
[3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol has a molecular weight of 454.46 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylimidazol-1-yl)-6-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 67799881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).