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

C18H16F2N6O — CID 91006465

IUPAC2-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-(4-fluorophenyl)ethanol
SMILESCc1cc(Nc2nc(C(CO)c3ccc(F)cc3)nn3cc(F)cc23)n[nH]1
InChIInChI=1S/C18H16F2N6O/c1-10-6-16(24-23-10)21-18-15-7-13(20)8-26(15)25-17(22-18)14(9-27)11-2-4-12(19)5-3-11/h2-8,14,27H,9H2,1H3,(H2,21,22,23,24,25)
InChIKeyTTYQEJHULYEKCA-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.91
Rot. Bonds5

About 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

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 (PubChem CID 91006465) has the molecular formula C18H16F2N6O and a molecular weight of 370.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-(4-fluorophenyl)ethanol
PubChem CID91006465
Molecular FormulaC18H16F2N6O
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC Name2-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-(4-fluorophenyl)ethanol
SMILESCc1cc(Nc2nc(C(CO)c3ccc(F)cc3)nn3cc(F)cc23)n[nH]1
InChIInChI=1S/C18H16F2N6O/c1-10-6-16(24-23-10)21-18-15-7-13(20)8-26(15)25-17(22-18)14(9-27)11-2-4-12(19)5-3-11/h2-8,14,27H,9H2,1H3,(H2,21,22,23,24,25)
InChIKeyTTYQEJHULYEKCA-UHFFFAOYSA-N
XLogP2.91
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 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-[2-[(4-fluorophenyl)-hydroxymethyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol
CID 45101319
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
2-(3-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]ethanol
CID 91267082
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)-(methoxyamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45107763
(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
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-(4,4-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
(2R)-2-[[3-amino-5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
CID 67455180
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-[(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Nc2nc(C(CO)c3ccc(F)cc3)nn3cc(F)cc23)n[nH]1.
What is the InChIKey of 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?
The InChIKey is TTYQEJHULYEKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O/c1-10-6-16(24-23-10)21-18-15-7-13(20)8-26(15)25-17(22-18)14(9-27)11-2-4-12(19)5-3-11/h2-8,14,27H,9H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 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?
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 has a molecular weight of 370.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91006465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).