2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C16H19N5O2 — CID 170319971

IUPAC2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCCC(C)C1C(=O)Nc2cnccc2N1C(=O)c1cnn(C)c1
InChIInChI=1S/C16H19N5O2/c1-4-10(2)14-15(22)19-12-8-17-6-5-13(12)21(14)16(23)11-7-18-20(3)9-11/h5-10,14H,4H2,1-3H3,(H,19,22)
InChIKeyJXFJGLLOVXNLHJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.83
Rot. Bonds3

About 2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one

2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 170319971) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID170319971
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCCC(C)C1C(=O)Nc2cnccc2N1C(=O)c1cnn(C)c1
InChIInChI=1S/C16H19N5O2/c1-4-10(2)14-15(22)19-12-8-17-6-5-13(12)21(14)16(23)11-7-18-20(3)9-11/h5-10,14H,4H2,1-3H3,(H,19,22)
InChIKeyJXFJGLLOVXNLHJ-UHFFFAOYSA-N
XLogP1.83
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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US9586948, Example 28
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1-(4-(4-cyclopropyl-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450464
N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]piperidine-4-carboxamide
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N,N-dimethyl-1-(4-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
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N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 3185083
N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 3185085
2-(1-isobutyl-3-oxo-2-piperazinyl)-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 16187839
US9586948, Example 14
CID 117871555
N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
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US9963443, Reference Example 4
CID 118450573

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 170319971) is 2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one is CCC(C)C1C(=O)Nc2cnccc2N1C(=O)c1cnn(C)c1.
What is the InChIKey of 2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is JXFJGLLOVXNLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-4-10(2)14-15(22)19-12-8-17-6-5-13(12)21(14)16(23)11-7-18-20(3)9-11/h5-10,14H,4H2,1-3H3,(H,19,22).
What are the key properties of 2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 313.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 170319971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).