2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol

C17H15FN6O — CID 135353717

IUPAC2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol
SMILESOCCc1[nH]ncc1-c1ccc2nnn(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C17H15FN6O/c18-12-3-1-11(2-4-12)10-24-17-16(22-23-24)6-5-14(20-17)13-9-19-21-15(13)7-8-25/h1-6,9,25H,7-8,10H2,(H,19,21)
InChIKeyAUMWEGOXXCRGNH-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.94
Rot. Bonds5

About 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol

2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol (PubChem CID 135353717) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol
PubChem CID135353717
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC Name2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol
SMILESOCCc1[nH]ncc1-c1ccc2nnn(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C17H15FN6O/c18-12-3-1-11(2-4-12)10-24-17-16(22-23-24)6-5-14(20-17)13-9-19-21-15(13)7-8-25/h1-6,9,25H,7-8,10H2,(H,19,21)
InChIKeyAUMWEGOXXCRGNH-UHFFFAOYSA-N
XLogP1.94
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol with MolForge

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Related Compounds

(S)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-phenylethanol (11)
CID 86765994
(S)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-2-(3-fluorophenyl)ethanol (17)
CID 86766000
7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126649391
(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol
CID 86765993
3-[(2-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 9836304
1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015484
2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 53261751
(3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanol
CID 71451823
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032866
(2S)-2-(4-fluorophenyl)-2-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032881
(1S)-1-(2,4-difluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032890
(1R)-1-(2,4-difluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032892

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol (CID 135353717) is 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol is OCCc1[nH]ncc1-c1ccc2nnn(Cc3ccc(F)cc3)c2n1.
What is the InChIKey of 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol?
The InChIKey is AUMWEGOXXCRGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c18-12-3-1-11(2-4-12)10-24-17-16(22-23-24)6-5-14(20-17)13-9-19-21-15(13)7-8-25/h1-6,9,25H,7-8,10H2,(H,19,21).
What are the key properties of 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol?
2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol has a molecular weight of 338.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 135353717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).