3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C19H16ClN3O2 — CID 4975707

IUPAC3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCOc1ccccc1C1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C19H16ClN3O2/c1-25-15-5-3-2-4-13(15)14-10-16(24)21-19-17(14)18(22-23-19)11-6-8-12(20)9-7-11/h2-9,14H,10H2,1H3,(H2,21,22,23,24)
InChIKeySDSIAXSATRQOQE-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.21
Rot. Bonds3

About 3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 4975707) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID4975707
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCOc1ccccc1C1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C19H16ClN3O2/c1-25-15-5-3-2-4-13(15)14-10-16(24)21-19-17(14)18(22-23-19)11-6-8-12(20)9-7-11/h2-9,14H,10H2,1H3,(H2,21,22,23,24)
InChIKeySDSIAXSATRQOQE-UHFFFAOYSA-N
XLogP4.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 4975707) is 3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is COc1ccccc1C1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is SDSIAXSATRQOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-25-15-5-3-2-4-13(15)14-10-16(24)21-19-17(14)18(22-23-19)11-6-8-12(20)9-7-11/h2-9,14H,10H2,1H3,(H2,21,22,23,24).
What are the key properties of 3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 353.81 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 4975707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).