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

C19H22N6O3 — CID 137049727

IUPAC2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCC(=O)C1CCN(C(=O)c2cnn(-c3nn4cccc4c(=O)[nH]3)c2C)CC1
InChIInChI=1S/C19H22N6O3/c1-3-16(26)13-6-9-23(10-7-13)18(28)14-11-20-25(12(14)2)19-21-17(27)15-5-4-8-24(15)22-19/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3,(H,21,22,27)
InChIKeyGWENVIWEKUXYIL-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.35
Rot. Bonds4

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

2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049727) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049727
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCC(=O)C1CCN(C(=O)c2cnn(-c3nn4cccc4c(=O)[nH]3)c2C)CC1
InChIInChI=1S/C19H22N6O3/c1-3-16(26)13-6-9-23(10-7-13)18(28)14-11-20-25(12(14)2)19-21-17(27)15-5-4-8-24(15)22-19/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3,(H,21,22,27)
InChIKeyGWENVIWEKUXYIL-UHFFFAOYSA-N
XLogP1.35
TPSA105.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(4-propanoylpiperidine-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-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049727) is 2-[5-methyl-4-(4-propanoylpiperidine-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-propanoylpiperidine-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-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is CCC(=O)C1CCN(C(=O)c2cnn(-c3nn4cccc4c(=O)[nH]3)c2C)CC1.
What is the InChIKey of 2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is GWENVIWEKUXYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-3-16(26)13-6-9-23(10-7-13)18(28)14-11-20-25(12(14)2)19-21-17(27)15-5-4-8-24(15)22-19/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3,(H,21,22,27).
What are the key properties of 2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 382.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).