2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C20H20N8O2 — CID 137049409

IUPAC2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCN(c3ccccn3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C20H20N8O2/c1-14-15(13-22-28(14)20-23-18(29)16-5-4-8-27(16)24-20)19(30)26-11-9-25(10-12-26)17-6-2-3-7-21-17/h2-8,13H,9-12H2,1H3,(H,23,24,29)
InChIKeyJUDQQFGVMIXQDR-UHFFFAOYSA-N
MW404.43 g/mol
LogP0.87
Rot. Bonds3

About 2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049409) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049409
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCN(c3ccccn3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C20H20N8O2/c1-14-15(13-22-28(14)20-23-18(29)16-5-4-8-27(16)24-20)19(30)26-11-9-25(10-12-26)17-6-2-3-7-21-17/h2-8,13H,9-12H2,1H3,(H,23,24,29)
InChIKeyJUDQQFGVMIXQDR-UHFFFAOYSA-N
XLogP0.87
TPSA104.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049409) is 2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(C(=O)N2CCN(c3ccccn3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is JUDQQFGVMIXQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-14-15(13-22-28(14)20-23-18(29)16-5-4-8-27(16)24-20)19(30)26-11-9-25(10-12-26)17-6-2-3-7-21-17/h2-8,13H,9-12H2,1H3,(H,23,24,29).
What are the key properties of 2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 404.43 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).