(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol

C17H15FN6O — CID 45108063

IUPAC(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nn3cccc23)n[nH]1
InChIInChI=1S/C17H15FN6O/c1-10-9-14(22-21-10)19-16-13-3-2-8-24(13)23-17(20-16)15(25)11-4-6-12(18)7-5-11/h2-9,15,25H,1H3,(H2,19,20,21,22,23)
InChIKeyIVLFZLJVANEPJU-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.73
Rot. Bonds4

About (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol

(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol (PubChem CID 45108063) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol
PubChem CID45108063
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC Name(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nn3cccc23)n[nH]1
InChIInChI=1S/C17H15FN6O/c1-10-9-14(22-21-10)19-16-13-3-2-8-24(13)23-17(20-16)15(25)11-4-6-12(18)7-5-11/h2-9,15,25H,1H3,(H2,19,20,21,22,23)
InChIKeyIVLFZLJVANEPJU-UHFFFAOYSA-N
XLogP2.73
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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)-(4-Fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 56833308
Ac-430
CID 46892373
(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
N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 92132733
(R)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 56833309
[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
7-[2-(1-Imidazolyl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455594
(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
US10399985, Example 15
CID 118278198
(4-[1-(3-Fluoro-benzyl)-1H-indazol-5-ylamino]-pyrrolo[2,1-f][1,2,4]triazin-5-yl}-methanol
CID 22390542
[4-[[5-(1-Ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186263

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol (CID 45108063) is (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol is Cc1cc(Nc2nc(C(O)c3ccc(F)cc3)nn3cccc23)n[nH]1.
What is the InChIKey of (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol?
The InChIKey is IVLFZLJVANEPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c1-10-9-14(22-21-10)19-16-13-3-2-8-24(13)23-17(20-16)15(25)11-4-6-12(18)7-5-11/h2-9,15,25H,1H3,(H2,19,20,21,22,23).
What are the key properties of (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol?
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol has a molecular weight of 338.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol is sourced from PubChem (CID 45108063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).