2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one

C26H29ClN4O4 — CID 91189677

IUPAC2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one
SMILESCOc1cccc(OCC2=c3c([nH]n(-c4ccccc4Cl)c3=O)=CCN2CC2CN(C)CCO2)c1
InChIInChI=1S/C26H29ClN4O4/c1-29-12-13-34-20(15-29)16-30-11-10-22-25(24(30)17-35-19-7-5-6-18(14-19)33-2)26(32)31(28-22)23-9-4-3-8-21(23)27/h3-10,14,20,28H,11-13,15-17H2,1-2H3
InChIKeyTUZDEEQUPJPERQ-UHFFFAOYSA-N
MW497.00 g/mol
LogP1.44
Rot. Bonds7

About 2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one

2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 91189677) has the molecular formula C26H29ClN4O4 and a molecular weight of 497.00 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one
PubChem CID91189677
Molecular FormulaC26H29ClN4O4
Molecular Weight497.00 g/mol
Exact Mass496.19
IUPAC Name2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one
SMILESCOc1cccc(OCC2=c3c([nH]n(-c4ccccc4Cl)c3=O)=CCN2CC2CN(C)CCO2)c1
InChIInChI=1S/C26H29ClN4O4/c1-29-12-13-34-20(15-29)16-30-11-10-22-25(24(30)17-35-19-7-5-6-18(14-19)33-2)26(32)31(28-22)23-9-4-3-8-21(23)27/h3-10,14,20,28H,11-13,15-17H2,1-2H3
InChIKeyTUZDEEQUPJPERQ-UHFFFAOYSA-N
XLogP1.44
TPSA71.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one (CID 91189677) is 2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one is COc1cccc(OCC2=c3c([nH]n(-c4ccccc4Cl)c3=O)=CCN2CC2CN(C)CCO2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is TUZDEEQUPJPERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O4/c1-29-12-13-34-20(15-29)16-30-11-10-22-25(24(30)17-35-19-7-5-6-18(14-19)33-2)26(32)31(28-22)23-9-4-3-8-21(23)27/h3-10,14,20,28H,11-13,15-17H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one?
2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 497.00 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-[(4-methylmorpholin-2-yl)methyl]-1,6-dihydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 91189677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).