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

C19H21N7O3 — CID 59003677

IUPAC4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)cc2-c2ccn(C)n2)cn1
InChIInChI=1S/C19H21N7O3/c1-23-8-9-25(12-18(23)27)19(28)15-10-16(14-6-7-24(2)21-14)26(22-15)13-4-5-17(29-3)20-11-13/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyKAWHGYZJELQOTG-UHFFFAOYSA-N
MW395.42 g/mol
LogP0.59
Rot. Bonds4

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

4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one (PubChem CID 59003677) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one
PubChem CID59003677
Molecular FormulaC19H21N7O3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)cc2-c2ccn(C)n2)cn1
InChIInChI=1S/C19H21N7O3/c1-23-8-9-25(12-18(23)27)19(28)15-10-16(14-6-7-24(2)21-14)26(22-15)13-4-5-17(29-3)20-11-13/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyKAWHGYZJELQOTG-UHFFFAOYSA-N
XLogP0.59
TPSA98.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one (CID 59003677) is 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one is COc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)cc2-c2ccn(C)n2)cn1.
What is the InChIKey of 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?
The InChIKey is KAWHGYZJELQOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c1-23-8-9-25(12-18(23)27)19(28)15-10-16(14-6-7-24(2)21-14)26(22-15)13-4-5-17(29-3)20-11-13/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?
4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one has a molecular weight of 395.42 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 59003677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).