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

C18H17FN6O — CID 58494447

IUPAC2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol
SMILESCc1cc(Nc2nc(C(CO)c3ccc(F)cc3)nn3cccc23)n[nH]1
InChIInChI=1S/C18H17FN6O/c1-11-9-16(23-22-11)20-18-15-3-2-8-25(15)24-17(21-18)14(10-26)12-4-6-13(19)7-5-12/h2-9,14,26H,10H2,1H3,(H2,20,21,22,23,24)
InChIKeyOURLGQNGBAITSQ-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.77
Rot. Bonds5

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

2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol (PubChem CID 58494447) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol
PubChem CID58494447
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol
SMILESCc1cc(Nc2nc(C(CO)c3ccc(F)cc3)nn3cccc23)n[nH]1
InChIInChI=1S/C18H17FN6O/c1-11-9-16(23-22-11)20-18-15-3-2-8-25(15)24-17(21-18)14(10-26)12-4-6-13(19)7-5-12/h2-9,14,26H,10H2,1H3,(H2,20,21,22,23,24)
InChIKeyOURLGQNGBAITSQ-UHFFFAOYSA-N
XLogP2.77
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol?
The IUPAC name of 2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol (CID 58494447) is 2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol?
The canonical SMILES for 2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol is Cc1cc(Nc2nc(C(CO)c3ccc(F)cc3)nn3cccc23)n[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol?
The InChIKey is OURLGQNGBAITSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-11-9-16(23-22-11)20-18-15-3-2-8-25(15)24-17(21-18)14(10-26)12-4-6-13(19)7-5-12/h2-9,14,26H,10H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol?
2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol has a molecular weight of 352.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol is sourced from PubChem (CID 58494447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).