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

C19H19FN6O2 — CID 45107852

IUPAC2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol
SMILESCc1cc(Nc2nc(C(OCCO)c3ccc(F)cc3)nn3cccc23)n[nH]1
InChIInChI=1S/C19H19FN6O2/c1-12-11-16(24-23-12)21-18-15-3-2-8-26(15)25-19(22-18)17(28-10-9-27)13-4-6-14(20)7-5-13/h2-8,11,17,27H,9-10H2,1H3,(H2,21,22,23,24,25)
InChIKeyLTGRKIOLJGVAAW-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.74
Rot. Bonds7

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

2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol (PubChem CID 45107852) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol
PubChem CID45107852
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol
SMILESCc1cc(Nc2nc(C(OCCO)c3ccc(F)cc3)nn3cccc23)n[nH]1
InChIInChI=1S/C19H19FN6O2/c1-12-11-16(24-23-12)21-18-15-3-2-8-26(15)25-19(22-18)17(28-10-9-27)13-4-6-14(20)7-5-13/h2-8,11,17,27H,9-10H2,1H3,(H2,21,22,23,24,25)
InChIKeyLTGRKIOLJGVAAW-UHFFFAOYSA-N
XLogP2.74
TPSA100.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
2-[(4-fluorophenyl)-(methoxyamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45107763
2-[dimethylamino-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494368
2-[(4-fluorophenyl)-(oxan-4-yloxy)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45101416
(4-fluoro-3-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol
CID 58494344
N-[2-[(4-fluorophenyl)-(2-hydroxyethoxy)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N',3-dimethylbut-2-enimidamide
CID 91557836
2-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-(4-fluorophenyl)ethanol
CID 91006465
2-[(4-fluorophenyl)-[3-(4-methylpiperazin-1-yl)propylsulfanyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494460
2-[(4-fluorophenyl)-[[(2R)-oxolan-2-yl]methylamino]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494458
2-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]acetamide
CID 58494409
2-(2,2-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]acetamide
CID 66984922
2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 88880749

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol?
The IUPAC name of 2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol (CID 45107852) is 2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol.
What is the SMILES notation for 2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol?
The canonical SMILES for 2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol is Cc1cc(Nc2nc(C(OCCO)c3ccc(F)cc3)nn3cccc23)n[nH]1.
What is the InChIKey of 2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol?
The InChIKey is LTGRKIOLJGVAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-12-11-16(24-23-12)21-18-15-3-2-8-26(15)25-19(22-18)17(28-10-9-27)13-4-6-14(20)7-5-13/h2-8,11,17,27H,9-10H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol?
2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol has a molecular weight of 382.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]ethanol is sourced from PubChem (CID 45107852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).