1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one

C21H21N7O — CID 90400794

IUPAC1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one
SMILESCN1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ccn2)CC1=O
InChIInChI=1S/C21H21N7O/c1-26-7-8-28(13-20(26)29)19-10-15(5-6-22-19)21-17-9-14(3-4-18(17)24-25-21)16-11-23-27(2)12-16/h3-6,9-12H,7-8,13H2,1-2H3,(H,24,25)
InChIKeyGQBLRAVMTOWNJQ-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.30
Rot. Bonds3

About 1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one

1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one (PubChem CID 90400794) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one
PubChem CID90400794
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one
SMILESCN1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ccn2)CC1=O
InChIInChI=1S/C21H21N7O/c1-26-7-8-28(13-20(26)29)19-10-15(5-6-22-19)21-17-9-14(3-4-18(17)24-25-21)16-11-23-27(2)12-16/h3-6,9-12H,7-8,13H2,1-2H3,(H,24,25)
InChIKeyGQBLRAVMTOWNJQ-UHFFFAOYSA-N
XLogP2.30
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one (CID 90400794) is 1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one is CN1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ccn2)CC1=O.
What is the InChIKey of 1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one?
The InChIKey is GQBLRAVMTOWNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-26-7-8-28(13-20(26)29)19-10-15(5-6-22-19)21-17-9-14(3-4-18(17)24-25-21)16-11-23-27(2)12-16/h3-6,9-12H,7-8,13H2,1-2H3,(H,24,25).
What are the key properties of 1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one?
1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one has a molecular weight of 387.45 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 90400794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).