5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C20H23N3O2 — CID 66494746

IUPAC5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1cccc(-n2[nH]c3cc(=O)n(C4CCCCC4)c(C)c3c2=O)c1
InChIInChI=1S/C20H23N3O2/c1-13-7-6-10-16(11-13)23-20(25)19-14(2)22(15-8-4-3-5-9-15)18(24)12-17(19)21-23/h6-7,10-12,15,21H,3-5,8-9H2,1-2H3
InChIKeyQXMDDCPVYFFGMY-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.60
Rot. Bonds2

About 5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66494746) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66494746
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1cccc(-n2[nH]c3cc(=O)n(C4CCCCC4)c(C)c3c2=O)c1
InChIInChI=1S/C20H23N3O2/c1-13-7-6-10-16(11-13)23-20(25)19-14(2)22(15-8-4-3-5-9-15)18(24)12-17(19)21-23/h6-7,10-12,15,21H,3-5,8-9H2,1-2H3
InChIKeyQXMDDCPVYFFGMY-UHFFFAOYSA-N
XLogP3.60
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494834
5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494844
5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495193
2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495077
2-[1,3-bis(3-methylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-ylidene]-1,3-bis(3-methylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazole
CID 118135713
1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione
CID 58329436
5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494961
5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 5296574
3-[4-(3-methylphenyl)piperazin-1-yl]azepane
CID 62642253
3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
CID 53433270
3-cyclopentyl-5,6-dimethyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidin-4-one
CID 24571398
2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494761

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66494746) is 5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1cccc(-n2[nH]c3cc(=O)n(C4CCCCC4)c(C)c3c2=O)c1.
What is the InChIKey of 5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is QXMDDCPVYFFGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-7-6-10-16(11-13)23-20(25)19-14(2)22(15-8-4-3-5-9-15)18(24)12-17(19)21-23/h6-7,10-12,15,21H,3-5,8-9H2,1-2H3.
What are the key properties of 5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 337.42 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66494746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).