1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one

C18H20N6O2 — CID 139003452

IUPAC1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one
SMILESCn1cc(-n2cc(C(=O)N3CCC(n4cccn4)CC3)ccc2=O)cn1
InChIInChI=1S/C18H20N6O2/c1-21-13-16(11-20-21)23-12-14(3-4-17(23)25)18(26)22-9-5-15(6-10-22)24-8-2-7-19-24/h2-4,7-8,11-13,15H,5-6,9-10H2,1H3
InChIKeyPTDXORNEGSFHQN-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.24
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one

1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one (PubChem CID 139003452) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one
PubChem CID139003452
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one
SMILESCn1cc(-n2cc(C(=O)N3CCC(n4cccn4)CC3)ccc2=O)cn1
InChIInChI=1S/C18H20N6O2/c1-21-13-16(11-20-21)23-12-14(3-4-17(23)25)18(26)22-9-5-15(6-10-22)24-8-2-7-19-24/h2-4,7-8,11-13,15H,5-6,9-10H2,1H3
InChIKeyPTDXORNEGSFHQN-UHFFFAOYSA-N
XLogP1.24
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one with MolForge

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Related Compounds

(3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110871165
(5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 136533921
(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110467043
5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one
CID 139003459
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 107108858
5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one
CID 139004718
1-methyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]pyridin-2-one
CID 127339699
(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110462510
6-(2-methylpropyl)-4-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 75446934
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one
CID 97465061
5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one
CID 91945531
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one (CID 139003452) is 1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one is Cn1cc(-n2cc(C(=O)N3CCC(n4cccn4)CC3)ccc2=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one?
The InChIKey is PTDXORNEGSFHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-21-13-16(11-20-21)23-12-14(3-4-17(23)25)18(26)22-9-5-15(6-10-22)24-8-2-7-19-24/h2-4,7-8,11-13,15H,5-6,9-10H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one?
1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one has a molecular weight of 352.40 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 139003452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).