3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one

C24H24N6O2 — CID 46396103

IUPAC3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one
SMILESCc1nn(-c2ccccc2)c2ccn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c12
InChIInChI=1S/C24H24N6O2/c1-18-23-20(30(26-18)19-7-3-2-4-8-19)10-12-29(24(23)32)17-22(31)28-15-13-27(14-16-28)21-9-5-6-11-25-21/h2-12H,13-17H2,1H3
InChIKeyPYYHVLVZHLJJGX-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.24
Rot. Bonds4

About 3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one

3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one (PubChem CID 46396103) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one
PubChem CID46396103
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one
SMILESCc1nn(-c2ccccc2)c2ccn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c12
InChIInChI=1S/C24H24N6O2/c1-18-23-20(30(26-18)19-7-3-2-4-8-19)10-12-29(24(23)32)17-22(31)28-15-13-27(14-16-28)21-9-5-6-11-25-21/h2-12H,13-17H2,1H3
InChIKeyPYYHVLVZHLJJGX-UHFFFAOYSA-N
XLogP2.24
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one
CID 50839654
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 51260305
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 27027912
1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one
CID 51320635
5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 3329389
5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one
CID 91639229
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid
CID 25220077
5,6-dimethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 18148182
2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110680076

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one (CID 46396103) is 3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one is Cc1nn(-c2ccccc2)c2ccn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c12.
What is the InChIKey of 3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one?
The InChIKey is PYYHVLVZHLJJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-18-23-20(30(26-18)19-7-3-2-4-8-19)10-12-29(24(23)32)17-22(31)28-15-13-27(14-16-28)21-9-5-6-11-25-21/h2-12H,13-17H2,1H3.
What are the key properties of 3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one?
3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one has a molecular weight of 428.50 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 46396103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).