4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one

C21H22N6O3 — CID 23090602

IUPAC4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)cc2-c2cc(C)ccn2)cn1
InChIInChI=1S/C21H22N6O3/c1-14-6-7-22-16(10-14)18-11-17(21(29)26-9-8-25(2)20(28)13-26)24-27(18)15-4-5-19(30-3)23-12-15/h4-7,10-12H,8-9,13H2,1-3H3
InChIKeySTOJIADHSYBMTP-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.56
Rot. Bonds4

About 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one

4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one (PubChem CID 23090602) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one
PubChem CID23090602
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)cc2-c2cc(C)ccn2)cn1
InChIInChI=1S/C21H22N6O3/c1-14-6-7-22-16(10-14)18-11-17(21(29)26-9-8-25(2)20(28)13-26)24-27(18)15-4-5-19(30-3)23-12-15/h4-7,10-12H,8-9,13H2,1-3H3
InChIKeySTOJIADHSYBMTP-UHFFFAOYSA-N
XLogP1.56
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one (CID 23090602) is 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one is COc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)cc2-c2cc(C)ccn2)cn1.
What is the InChIKey of 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?
The InChIKey is STOJIADHSYBMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-14-6-7-22-16(10-14)18-11-17(21(29)26-9-8-25(2)20(28)13-26)24-27(18)15-4-5-19(30-3)23-12-15/h4-7,10-12H,8-9,13H2,1-3H3.
What are the key properties of 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?
4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one has a molecular weight of 406.45 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 23090602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).