5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C18H21N5O3 — CID 146044926

IUPAC5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2nc(C(=O)N3CCC(c4cc[nH]c(=O)c4)CC3)cc2C1=O
InChIInChI=1S/C18H21N5O3/c1-21-8-9-23-15(18(21)26)11-14(20-23)17(25)22-6-3-12(4-7-22)13-2-5-19-16(24)10-13/h2,5,10-12H,3-4,6-9H2,1H3,(H,19,24)
InChIKeyZGPUDBFDUWUSCF-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.68
Rot. Bonds2

About 5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 146044926) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID146044926
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2nc(C(=O)N3CCC(c4cc[nH]c(=O)c4)CC3)cc2C1=O
InChIInChI=1S/C18H21N5O3/c1-21-8-9-23-15(18(21)26)11-14(20-23)17(25)22-6-3-12(4-7-22)13-2-5-19-16(24)10-13/h2,5,10-12H,3-4,6-9H2,1H3,(H,19,24)
InChIKeyZGPUDBFDUWUSCF-UHFFFAOYSA-N
XLogP0.68
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 146672995
3-[[4-Oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid;hydrochloride
CID 45264459
5-[(4-Methylphenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 137658311
(2S)-2-amino-3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid
CID 44285340
3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine-2-carbonyl]-amino}-propionic acid; hydrochloride
CID 44285637
(2S)-2-acetamido-3-[[4-oxo-5-(2-piperidin-4-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]propanoic acid
CID 44285651
1'-(3-ethyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937943
1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937944
5-(7-oxo-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-3a,7a-dihydro-1H-indazole-3-carboxamide
CID 91937949
N-isopropyl-1'-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 16192070
2-[(4-isopropylpiperazino)carbonyl]-6-phenylpyrazolo[1,5-a]pyrazin-4(5H)-one
CID 91891174
N-[(2S)-3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 156014475

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 146044926) is 5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN1CCn2nc(C(=O)N3CCC(c4cc[nH]c(=O)c4)CC3)cc2C1=O.
What is the InChIKey of 5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ZGPUDBFDUWUSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-21-8-9-23-15(18(21)26)11-14(20-23)17(25)22-6-3-12(4-7-22)13-2-5-19-16(24)10-13/h2,5,10-12H,3-4,6-9H2,1H3,(H,19,24).
What are the key properties of 5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 355.40 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 146044926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).