5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one

C17H23N5O2 — CID 121021046

IUPAC5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCCC(c3ccn(C)n3)C2)c(=O)c1C
InChIInChI=1S/C17H23N5O2/c1-12-13(2)18-11-22(17(12)24)10-16(23)21-7-4-5-14(9-21)15-6-8-20(3)19-15/h6,8,11,14H,4-5,7,9-10H2,1-3H3
InChIKeyKGHAOUFQUCNVBN-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.00
Rot. Bonds3

About 5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one

5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 121021046) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one
PubChem CID121021046
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCCC(c3ccn(C)n3)C2)c(=O)c1C
InChIInChI=1S/C17H23N5O2/c1-12-13(2)18-11-22(17(12)24)10-16(23)21-7-4-5-14(9-21)15-6-8-20(3)19-15/h6,8,11,14H,4-5,7,9-10H2,1-3H3
InChIKeyKGHAOUFQUCNVBN-UHFFFAOYSA-N
XLogP1.00
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one with MolForge

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Related Compounds

3-Methyl-4-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-YL]-6H,7H,8H-pyrrolo[1,2-A]pyrimidin-2-one
CID 110217936
2-(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)-N-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl)acetamide
CID 91629671
3,3,3-trifluoro-1-(3-(1-methyl-1H-pyrazol-3-yl)piperidin-1-yl)propan-1-one
CID 121021048
N-(tert-butyl)-2-(4-(1-methyl-1H-pyrazol-3-yl)piperidin-1-yl)acetamide
CID 122161919
5,6-dimethyl-3-[2-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 129524190
[(1S)-cyclohex-3-en-1-yl]-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 129524432
N-(1-methyl-6-oxopyridazin-3-yl)-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 138025522
(3S)-N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 164640955
3-({1-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-yl}methyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943651
6-(difluoromethyl)-3-({1-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944070
3,3,3-trifluoro-1-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one
CID 129356836
3,3,3-trifluoro-1-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one
CID 129356837

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 121021046) is 5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one is Cc1ncn(CC(=O)N2CCCC(c3ccn(C)n3)C2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The InChIKey is KGHAOUFQUCNVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-13(2)18-11-22(17(12)24)10-16(23)21-7-4-5-14(9-21)15-6-8-20(3)19-15/h6,8,11,14H,4-5,7,9-10H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 329.40 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 121021046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).