2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C17H17F3N6O3 — CID 137049366

IUPAC2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCC(O)(C(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C17H17F3N6O3/c1-10-11(14(28)24-7-4-16(29,5-8-24)17(18,19)20)9-21-26(10)15-22-13(27)12-3-2-6-25(12)23-15/h2-3,6,9,29H,4-5,7-8H2,1H3,(H,22,23,27)
InChIKeyRIAQGPJEPOJLTL-UHFFFAOYSA-N
MW410.36 g/mol
LogP1.05
Rot. Bonds2

About 2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049366) has the molecular formula C17H17F3N6O3 and a molecular weight of 410.36 g/mol. Its IUPAC name is 2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049366
Molecular FormulaC17H17F3N6O3
Molecular Weight410.36 g/mol
Exact Mass410.13
IUPAC Name2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCC(O)(C(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C17H17F3N6O3/c1-10-11(14(28)24-7-4-16(29,5-8-24)17(18,19)20)9-21-26(10)15-22-13(27)12-3-2-6-25(12)23-15/h2-3,6,9,29H,4-5,7-8H2,1H3,(H,22,23,27)
InChIKeyRIAQGPJEPOJLTL-UHFFFAOYSA-N
XLogP1.05
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049366) is 2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(C(=O)N2CCC(O)(C(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is RIAQGPJEPOJLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O3/c1-10-11(14(28)24-7-4-16(29,5-8-24)17(18,19)20)9-21-26(10)15-22-13(27)12-3-2-6-25(12)23-15/h2-3,6,9,29H,4-5,7-8H2,1H3,(H,22,23,27).
What are the key properties of 2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 410.36 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).