6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C16H20ClN3O2 — CID 67372988

IUPAC6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCOCCn1[nH]c2c(c1=O)CCN(Cc1cccc(Cl)c1)C2
InChIInChI=1S/C16H20ClN3O2/c1-22-8-7-20-16(21)14-5-6-19(11-15(14)18-20)10-12-3-2-4-13(17)9-12/h2-4,9,18H,5-8,10-11H2,1H3
InChIKeyAFZRGSMMOLMUST-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.03
Rot. Bonds5

About 6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 67372988) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID67372988
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCOCCn1[nH]c2c(c1=O)CCN(Cc1cccc(Cl)c1)C2
InChIInChI=1S/C16H20ClN3O2/c1-22-8-7-20-16(21)14-5-6-19(11-15(14)18-20)10-12-3-2-4-13(17)9-12/h2-4,9,18H,5-8,10-11H2,1H3
InChIKeyAFZRGSMMOLMUST-UHFFFAOYSA-N
XLogP2.03
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one with MolForge

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Related Compounds

6-[(3-chlorophenyl)methyl]-2-(pyridin-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375792
6-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67374450
2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67371266
2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375523
2,6-dibenzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373232
6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 77093206
2-(1,3-benzodioxol-5-yl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 53373505
6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67355726
2-[(3-chlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 766064
2-benzyl-5-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 53357548
2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373358
2-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 67372261

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 67372988) is 6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is COCCn1[nH]c2c(c1=O)CCN(Cc1cccc(Cl)c1)C2.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is AFZRGSMMOLMUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-22-8-7-20-16(21)14-5-6-19(11-15(14)18-20)10-12-3-2-4-13(17)9-12/h2-4,9,18H,5-8,10-11H2,1H3.
What are the key properties of 6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 321.81 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 67372988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).