4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide

C17H20N6O2 — CID 167833760

IUPAC4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccn2)c1)N1CC(=O)N2CCCC2C1
InChIInChI=1S/C17H20N6O2/c24-16-12-21(11-15-5-3-7-23(15)16)17(25)20-14-8-19-22(10-14)9-13-4-1-2-6-18-13/h1-2,4,6,8,10,15H,3,5,7,9,11-12H2,(H,20,25)
InChIKeyVXYIBWJCXXEEAB-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.16
Rot. Bonds3

About 4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide

4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 167833760) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID167833760
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccn2)c1)N1CC(=O)N2CCCC2C1
InChIInChI=1S/C17H20N6O2/c24-16-12-21(11-15-5-3-7-23(15)16)17(25)20-14-8-19-22(10-14)9-13-4-1-2-6-18-13/h1-2,4,6,8,10,15H,3,5,7,9,11-12H2,(H,20,25)
InChIKeyVXYIBWJCXXEEAB-UHFFFAOYSA-N
XLogP1.16
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

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4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
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4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
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(2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide
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1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]urea
CID 99849044
2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
CID 136534909
(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
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CID 162887102
(6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 138053497
1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide (CID 167833760) is 4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide is O=C(Nc1cnn(Cc2ccccn2)c1)N1CC(=O)N2CCCC2C1.
What is the InChIKey of 4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is VXYIBWJCXXEEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-16-12-21(11-15-5-3-7-23(15)16)17(25)20-14-8-19-22(10-14)9-13-4-1-2-6-18-13/h1-2,4,6,8,10,15H,3,5,7,9,11-12H2,(H,20,25).
What are the key properties of 4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 167833760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).