3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C22H23N3O4 — CID 134805160

IUPAC3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(OC)c(-c2n[nH]c3c2CC(=O)N(CCOc2ccccc2)C3)c1
InChIInChI=1S/C22H23N3O4/c1-27-16-8-9-20(28-2)18(12-16)22-17-13-21(26)25(14-19(17)23-24-22)10-11-29-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,24)
InChIKeyJPCWUAWYTYGRMN-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.06
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134805160) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134805160
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(OC)c(-c2n[nH]c3c2CC(=O)N(CCOc2ccccc2)C3)c1
InChIInChI=1S/C22H23N3O4/c1-27-16-8-9-20(28-2)18(12-16)22-17-13-21(26)25(14-19(17)23-24-22)10-11-29-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,24)
InChIKeyJPCWUAWYTYGRMN-UHFFFAOYSA-N
XLogP3.06
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134805160) is 3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COc1ccc(OC)c(-c2n[nH]c3c2CC(=O)N(CCOc2ccccc2)C3)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is JPCWUAWYTYGRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-16-8-9-20(28-2)18(12-16)22-17-13-21(26)25(14-19(17)23-24-22)10-11-29-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,24).
What are the key properties of 3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 393.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134805160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).