3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C25H31N5O4 — CID 129174549

IUPAC3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(C)=O)c3c2C(=O)N(C2CCN(N4CCCCC4=O)CC2)CC3)cc1
InChIInChI=1S/C25H31N5O4/c1-17(31)23-21-12-16-28(18-10-14-27(15-11-18)29-13-4-3-5-22(29)32)25(33)24(21)30(26-23)19-6-8-20(34-2)9-7-19/h6-9,18H,3-5,10-16H2,1-2H3
InChIKeyNPEPFLLPISSBMN-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.47
Rot. Bonds5

About 3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 129174549) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID129174549
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(C)=O)c3c2C(=O)N(C2CCN(N4CCCCC4=O)CC2)CC3)cc1
InChIInChI=1S/C25H31N5O4/c1-17(31)23-21-12-16-28(18-10-14-27(15-11-18)29-13-4-3-5-22(29)32)25(33)24(21)30(26-23)19-6-8-20(34-2)9-7-19/h6-9,18H,3-5,10-16H2,1-2H3
InChIKeyNPEPFLLPISSBMN-UHFFFAOYSA-N
XLogP2.47
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)-7-oxo-6-[3-(2-oxopiperidin-1-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118535813
3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 158695238
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000389
1-(4-methoxyphenyl)-7-oxo-6-[1-[2-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 23648152
6-[1-[2-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 23648151
N,N-dideuterio-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 25208012
1-(4-methoxyphenyl)-7-oxo-6-[(2E,4E)-5-(2-oxopiperidin-1-yl)hepta-2,4-dien-2-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 131995983
3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 10161317
1-(4-methoxyphenyl)-7-oxo-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 163543726
ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 149410148
methyl 6-[4-(5-bromopentanoylamino)piperidin-1-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 126713479
2-(diethylamino)ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 175097306

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 129174549) is 3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(C(C)=O)c3c2C(=O)N(C2CCN(N4CCCCC4=O)CC2)CC3)cc1.
What is the InChIKey of 3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is NPEPFLLPISSBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-17(31)23-21-12-16-28(18-10-14-27(15-11-18)29-13-4-3-5-22(29)32)25(33)24(21)30(26-23)19-6-8-20(34-2)9-7-19/h6-9,18H,3-5,10-16H2,1-2H3.
What are the key properties of 3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 465.55 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(4-methoxyphenyl)-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 129174549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).