4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one

C25H23N7O4 — CID 141390176

IUPAC4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one
SMILESCOc1ccc(-n2nc(-c3ncn[nH]3)c3c2C(=O)N(c2ccc(N4CCOCC4=O)cc2)CC3)cc1
InChIInChI=1S/C25H23N7O4/c1-35-19-8-6-18(7-9-19)32-23-20(22(29-32)24-26-15-27-28-24)10-11-31(25(23)34)17-4-2-16(3-5-17)30-12-13-36-14-21(30)33/h2-9,15H,10-14H2,1H3,(H,26,27,28)
InChIKeyHCHIVFMDIUFJPQ-UHFFFAOYSA-N
MW485.50 g/mol
LogP2.23
Rot. Bonds5

About 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one

4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one (PubChem CID 141390176) has the molecular formula C25H23N7O4 and a molecular weight of 485.50 g/mol. Its IUPAC name is 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one
PubChem CID141390176
Molecular FormulaC25H23N7O4
Molecular Weight485.50 g/mol
Exact Mass485.18
IUPAC Name4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one
SMILESCOc1ccc(-n2nc(-c3ncn[nH]3)c3c2C(=O)N(c2ccc(N4CCOCC4=O)cc2)CC3)cc1
InChIInChI=1S/C25H23N7O4/c1-35-19-8-6-18(7-9-19)32-23-20(22(29-32)24-26-15-27-28-24)10-11-31(25(23)34)17-4-2-16(3-5-17)30-12-13-36-14-21(30)33/h2-9,15H,10-14H2,1H3,(H,26,27,28)
InChIKeyHCHIVFMDIUFJPQ-UHFFFAOYSA-N
XLogP2.23
TPSA118.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one with MolForge

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Related Compounds

1-(4-methoxyphenyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 134147303
3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 134151522
1-(4-methoxyphenyl)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 134143698
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 141435084
1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10619709
3-ethyl-6-(4-fluorophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 54151775
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000389
methanamine;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbaldehyde
CID 166529379
1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-[2-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 10166969
3-[amino(hydroxy)methyl]-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 123999276
6-(4-aminophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 23635261
ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 142253187

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one (CID 141390176) is 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one is COc1ccc(-n2nc(-c3ncn[nH]3)c3c2C(=O)N(c2ccc(N4CCOCC4=O)cc2)CC3)cc1.
What is the InChIKey of 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one?
The InChIKey is HCHIVFMDIUFJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O4/c1-35-19-8-6-18(7-9-19)32-23-20(22(29-32)24-26-15-27-28-24)10-11-31(25(23)34)17-4-2-16(3-5-17)30-12-13-36-14-21(30)33/h2-9,15H,10-14H2,1H3,(H,26,27,28).
What are the key properties of 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one?
4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one has a molecular weight of 485.50 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one is sourced from PubChem (CID 141390176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).