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

C19H21ClN4O2 — CID 137303526

IUPAC6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(CCN2CCCC2)c2[nH]c(-c3ccccc3Cl)c(O)c(=O)c12
InChIInChI=1S/C19H21ClN4O2/c1-12-15-17(25)18(26)16(13-6-2-3-7-14(13)20)21-19(15)24(22-12)11-10-23-8-4-5-9-23/h2-3,6-7,26H,4-5,8-11H2,1H3,(H,21,25)
InChIKeySBJBBXZKEFQMIL-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.15
Rot. Bonds4

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

6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 137303526) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID137303526
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(CCN2CCCC2)c2[nH]c(-c3ccccc3Cl)c(O)c(=O)c12
InChIInChI=1S/C19H21ClN4O2/c1-12-15-17(25)18(26)16(13-6-2-3-7-14(13)20)21-19(15)24(22-12)11-10-23-8-4-5-9-23/h2-3,6-7,26H,4-5,8-11H2,1H3,(H,21,25)
InChIKeySBJBBXZKEFQMIL-UHFFFAOYSA-N
XLogP3.15
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-4-one
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1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one
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6-(2-chlorophenyl)-3-[(2-fluorophenyl)methyl]-5-hydroxy-2-methyl-7H-pyrazolo[3,4-b]pyridin-4-one
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CID 90490516
6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 150807748
5-(2-chlorophenyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione
CID 23966334
5-(2-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 137303526) is 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(CCN2CCCC2)c2[nH]c(-c3ccccc3Cl)c(O)c(=O)c12.
What is the InChIKey of 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is SBJBBXZKEFQMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-12-15-17(25)18(26)16(13-6-2-3-7-14(13)20)21-19(15)24(22-12)11-10-23-8-4-5-9-23/h2-3,6-7,26H,4-5,8-11H2,1H3,(H,21,25).
What are the key properties of 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 372.86 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-5-hydroxy-3-methyl-1-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137303526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).