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

C19H21N3O3 — CID 66495017

IUPAC4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1ccccc1-n1[nH]c2cc(=O)n(CC3CCCO3)c(C)c2c1=O
InChIInChI=1S/C19H21N3O3/c1-12-6-3-4-8-16(12)22-19(24)18-13(2)21(11-14-7-5-9-25-14)17(23)10-15(18)20-22/h3-4,6,8,10,14,20H,5,7,9,11H2,1-2H3
InChIKeyKPCQXDULHBFVOY-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.28
Rot. Bonds3

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

4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66495017) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66495017
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1ccccc1-n1[nH]c2cc(=O)n(CC3CCCO3)c(C)c2c1=O
InChIInChI=1S/C19H21N3O3/c1-12-6-3-4-8-16(12)22-19(24)18-13(2)21(11-14-7-5-9-25-14)17(23)10-15(18)20-22/h3-4,6,8,10,14,20H,5,7,9,11H2,1-2H3
InChIKeyKPCQXDULHBFVOY-UHFFFAOYSA-N
XLogP2.28
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 165482338
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
6-methyl-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 4512416
2-(1,3-benzothiazol-2-yl)-1-benzyl-4-methyl-5-[[(2R)-oxolan-2-yl]methyl]pyrazolo[4,3-c]pyridine-3,6-dione
CID 41301155
4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one
CID 51568108
5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 5296574
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
3-(2-methylphenyl)-1-(oxolan-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
CID 46060808
3-(2-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
CID 92990312
1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one
CID 117006680
6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 126857529
ethyl 2-[3-(2-methylphenyl)-2,6-dioxo-1-(oxolan-2-ylmethyl)purin-7-yl]acetate
CID 46061258

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66495017) is 4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1ccccc1-n1[nH]c2cc(=O)n(CC3CCCO3)c(C)c2c1=O.
What is the InChIKey of 4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is KPCQXDULHBFVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-6-3-4-8-16(12)22-19(24)18-13(2)21(11-14-7-5-9-25-14)17(23)10-15(18)20-22/h3-4,6,8,10,14,20H,5,7,9,11H2,1-2H3.
What are the key properties of 4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 339.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylphenyl)-5-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66495017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).