6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one

C16H16ClN3O2 — CID 150296831

IUPAC6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(C(C)C)c2[nH]c(-c3ccccc3Cl)c(O)c(=O)c12
InChIInChI=1S/C16H16ClN3O2/c1-8(2)20-16-12(9(3)19-20)14(21)15(22)13(18-16)10-6-4-5-7-11(10)17/h4-8,22H,1-3H3,(H,18,21)
InChIKeyGITJGMZFJOXQJW-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.64
Rot. Bonds2

About 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one

6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 150296831) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID150296831
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(C(C)C)c2[nH]c(-c3ccccc3Cl)c(O)c(=O)c12
InChIInChI=1S/C16H16ClN3O2/c1-8(2)20-16-12(9(3)19-20)14(21)15(22)13(18-16)10-6-4-5-7-11(10)17/h4-8,22H,1-3H3,(H,18,21)
InChIKeyGITJGMZFJOXQJW-UHFFFAOYSA-N
XLogP3.64
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303541
6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303526
6-(2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 150505736
6-(2-chlorophenyl)-5-hydroxy-1-methyl-3-(morpholin-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 151786711
6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one
CID 137303515
1-benzyl-6-(2,6-difluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303582
4-(chloromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135562164
6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 150807748
2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 80663741
1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303571
3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135413727
5-(2-chlorophenyl)-2-ethyl-6-hydroxy-3-methylpyrano[3,2-c]pyrazol-7-one
CID 135371251

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 150296831) is 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(C(C)C)c2[nH]c(-c3ccccc3Cl)c(O)c(=O)c12.
What is the InChIKey of 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is GITJGMZFJOXQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-8(2)20-16-12(9(3)19-20)14(21)15(22)13(18-16)10-6-4-5-7-11(10)17/h4-8,22H,1-3H3,(H,18,21).
What are the key properties of 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one?
6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 317.78 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 150296831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).