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

C19H18F2N6O — CID 58494380

IUPAC2-[1-fluoro-1-(4-fluorophenyl)-2-methoxyethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOCC(F)(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2cccn2n1
InChIInChI=1S/C19H18F2N6O/c1-12-10-16(25-24-12)22-17-15-4-3-9-27(15)26-18(23-17)19(21,11-28-2)13-5-7-14(20)8-6-13/h3-10H,11H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyPEWDNNYZYNKQID-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.50
Rot. Bonds6

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

2-[1-fluoro-1-(4-fluorophenyl)-2-methoxyethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 58494380) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[1-fluoro-1-(4-fluorophenyl)-2-methoxyethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-[1-fluoro-1-(4-fluorophenyl)-2-methoxyethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID58494380
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC Name2-[1-fluoro-1-(4-fluorophenyl)-2-methoxyethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOCC(F)(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2cccn2n1
InChIInChI=1S/C19H18F2N6O/c1-12-10-16(25-24-12)22-17-15-4-3-9-27(15)26-18(23-17)19(21,11-28-2)13-5-7-14(20)8-6-13/h3-10H,11H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyPEWDNNYZYNKQID-UHFFFAOYSA-N
XLogP3.50
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-1-(4-fluorophenyl)-2-methoxyethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-[1-fluoro-1-(4-fluorophenyl)-2-methoxyethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 58494380) is 2-[1-fluoro-1-(4-fluorophenyl)-2-methoxyethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-[1-fluoro-1-(4-fluorophenyl)-2-methoxyethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-[1-fluoro-1-(4-fluorophenyl)-2-methoxyethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COCC(F)(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2cccn2n1.
What is the InChIKey of 2-[1-fluoro-1-(4-fluorophenyl)-2-methoxyethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is PEWDNNYZYNKQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c1-12-10-16(25-24-12)22-17-15-4-3-9-27(15)26-18(23-17)19(21,11-28-2)13-5-7-14(20)8-6-13/h3-10H,11H2,1-2H3,(H2,22,23,24,25,26).
What are the key properties of 2-[1-fluoro-1-(4-fluorophenyl)-2-methoxyethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-[1-fluoro-1-(4-fluorophenyl)-2-methoxyethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 384.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-1-(4-fluorophenyl)-2-methoxyethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 58494380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).