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

C18H16F2N6O — CID 58494390

IUPAC2-fluoro-2-(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(F)(CO)c3ccc(F)cc3)nn3cccc23)n[nH]1
InChIInChI=1S/C18H16F2N6O/c1-11-9-15(24-23-11)21-16-14-3-2-8-26(14)25-17(22-16)18(20,10-27)12-4-6-13(19)7-5-12/h2-9,27H,10H2,1H3,(H2,21,22,23,24,25)
InChIKeyMIRZMSBIFASDQO-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.85
Rot. Bonds5

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

2-fluoro-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 58494390) has the molecular formula C18H16F2N6O and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-fluoro-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-fluoro-2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol
PubChem CID58494390
Molecular FormulaC18H16F2N6O
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC Name2-fluoro-2-(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(F)(CO)c3ccc(F)cc3)nn3cccc23)n[nH]1
InChIInChI=1S/C18H16F2N6O/c1-11-9-15(24-23-11)21-16-14-3-2-8-26(14)25-17(22-16)18(20,10-27)12-4-6-13(19)7-5-12/h2-9,27H,10H2,1H3,(H2,21,22,23,24,25)
InChIKeyMIRZMSBIFASDQO-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-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-fluoro-2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol (CID 58494390) is 2-fluoro-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-fluoro-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-fluoro-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(F)(CO)c3ccc(F)cc3)nn3cccc23)n[nH]1.
What is the InChIKey of 2-fluoro-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 MIRZMSBIFASDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O/c1-11-9-15(24-23-11)21-16-14-3-2-8-26(14)25-17(22-16)18(20,10-27)12-4-6-13(19)7-5-12/h2-9,27H,10H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-fluoro-2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol?
2-fluoro-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 370.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-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 58494390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).