3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C22H23N3O3 — CID 134809523

IUPAC3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCc1cccc(-c2n[nH]c3c2CC(=O)N(Cc2ccc(OC)cc2)C3)c1
InChIInChI=1S/C22H23N3O3/c1-27-14-16-4-3-5-17(10-16)22-19-11-21(26)25(13-20(19)23-24-22)12-15-6-8-18(28-2)9-7-15/h3-10H,11-14H2,1-2H3,(H,23,24)
InChIKeyDMXSFSVJELKGNH-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.32
Rot. Bonds6

About 3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134809523) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134809523
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCc1cccc(-c2n[nH]c3c2CC(=O)N(Cc2ccc(OC)cc2)C3)c1
InChIInChI=1S/C22H23N3O3/c1-27-14-16-4-3-5-17(10-16)22-19-11-21(26)25(13-20(19)23-24-22)12-15-6-8-18(28-2)9-7-15/h3-10H,11-14H2,1-2H3,(H,23,24)
InChIKeyDMXSFSVJELKGNH-UHFFFAOYSA-N
XLogP3.32
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134809523) is 3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COCc1cccc(-c2n[nH]c3c2CC(=O)N(Cc2ccc(OC)cc2)C3)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is DMXSFSVJELKGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-14-16-4-3-5-17(10-16)22-19-11-21(26)25(13-20(19)23-24-22)12-15-6-8-18(28-2)9-7-15/h3-10H,11-14H2,1-2H3,(H,23,24).
What are the key properties of 3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 377.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenyl]-6-[(4-methoxyphenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134809523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).