1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one

C21H21N7O — CID 118930215

IUPAC1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one
SMILESCN1CCN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CC1=O
InChIInChI=1S/C21H21N7O/c1-25-7-8-27(14-21(25)29)20-10-18(5-6-22-20)28-19-9-15(3-4-16(19)11-24-28)17-12-23-26(2)13-17/h3-6,9-13H,7-8,14H2,1-2H3
InChIKeyXVNUWQHWDJOOIF-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.10
Rot. Bonds3

About 1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one

1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one (PubChem CID 118930215) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one
PubChem CID118930215
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one
SMILESCN1CCN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CC1=O
InChIInChI=1S/C21H21N7O/c1-25-7-8-27(14-21(25)29)20-10-18(5-6-22-20)28-19-9-15(3-4-16(19)11-24-28)17-12-23-26(2)13-17/h3-6,9-13H,7-8,14H2,1-2H3
InChIKeyXVNUWQHWDJOOIF-UHFFFAOYSA-N
XLogP2.10
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one (CID 118930215) is 1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one is CN1CCN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CC1=O.
What is the InChIKey of 1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one?
The InChIKey is XVNUWQHWDJOOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-25-7-8-27(14-21(25)29)20-10-18(5-6-22-20)28-19-9-15(3-4-16(19)11-24-28)17-12-23-26(2)13-17/h3-6,9-13H,7-8,14H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one?
1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one has a molecular weight of 387.45 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 118930215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).