7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one

C13H13Cl2N3O — CID 22136290

IUPAC7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one
SMILESCn1[nH]c2c(c1=O)CCCN2c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-17-13(19)9-3-2-6-18(12(9)16-17)11-5-4-8(14)7-10(11)15/h4-5,7,16H,2-3,6H2,1H3
InChIKeyHNKTXMUZKUVSRQ-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.10
Rot. Bonds1

About 7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one

7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one (PubChem CID 22136290) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one
PubChem CID22136290
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one
SMILESCn1[nH]c2c(c1=O)CCCN2c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-17-13(19)9-3-2-6-18(12(9)16-17)11-5-4-8(14)7-10(11)15/h4-5,7,16H,2-3,6H2,1H3
InChIKeyHNKTXMUZKUVSRQ-UHFFFAOYSA-N
XLogP3.10
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol
CID 59811519
1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one
CID 1486799
1-(2,4-dichlorophenyl)-2-methylpyrazolidine
CID 59602826
1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one
CID 63090019
3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66545182
2-(2,4-dichlorophenyl)-1H-pyrazol-3-one
CID 112656212
5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid
CID 16772914
2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 4918942
1-(2,4-dichlorophenyl)-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]pyrrolidin-2-one
CID 54191443
3-chloro-4-(2-oxopiperidin-1-yl)benzenecarbothioamide
CID 114003528
2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione
CID 171984926
1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one
CID 81273262

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one (CID 22136290) is 7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one is Cn1[nH]c2c(c1=O)CCCN2c1ccc(Cl)cc1Cl.
What is the InChIKey of 7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one?
The InChIKey is HNKTXMUZKUVSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-17-13(19)9-3-2-6-18(12(9)16-17)11-5-4-8(14)7-10(11)15/h4-5,7,16H,2-3,6H2,1H3.
What are the key properties of 7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one?
7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one has a molecular weight of 298.17 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 22136290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).