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

C18H17FN6O — CID 58494344

IUPAC(4-fluoro-3-methylphenyl)-[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)c(C)c3)nn3cccc23)n[nH]1
InChIInChI=1S/C18H17FN6O/c1-10-8-12(5-6-13(10)19)16(26)18-21-17(14-4-3-7-25(14)24-18)20-15-9-11(2)22-23-15/h3-9,16,26H,1-2H3,(H2,20,21,22,23,24)
InChIKeyRCUDDJBAYORRHA-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.03
Rot. Bonds4

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

(4-fluoro-3-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol (PubChem CID 58494344) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol
PubChem CID58494344
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name(4-fluoro-3-methylphenyl)-[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)c(C)c3)nn3cccc23)n[nH]1
InChIInChI=1S/C18H17FN6O/c1-10-8-12(5-6-13(10)19)16(26)18-21-17(14-4-3-7-25(14)24-18)20-15-9-11(2)22-23-15/h3-9,16,26H,1-2H3,(H2,20,21,22,23,24)
InChIKeyRCUDDJBAYORRHA-UHFFFAOYSA-N
XLogP3.03
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol?
The IUPAC name of (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) is (4-fluoro-3-methylphenyl)-[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-fluoro-3-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol?
The canonical SMILES for (4-fluoro-3-methylphenyl)-[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)c(C)c3)nn3cccc23)n[nH]1.
What is the InChIKey of (4-fluoro-3-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol?
The InChIKey is RCUDDJBAYORRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-10-8-12(5-6-13(10)19)16(26)18-21-17(14-4-3-7-25(14)24-18)20-15-9-11(2)22-23-15/h3-9,16,26H,1-2H3,(H2,20,21,22,23,24).
What are the key properties of (4-fluoro-3-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol?
(4-fluoro-3-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol has a molecular weight of 352.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol is sourced from PubChem (CID 58494344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).