ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C27H31N5O4 — CID 142253187

IUPACethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCC.COc1ccc(-n2nc(CN=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1
InChIInChI=1S/C25H25N5O4.C2H6/c1-34-20-11-9-19(10-12-20)30-24-21(22(27-30)16-26-33)13-15-29(25(24)32)18-7-5-17(6-8-18)28-14-3-2-4-23(28)31;1-2/h5-12H,2-4,13-16H2,1H3;1-2H3
InChIKeyYWZVDIVZZVPPCF-UHFFFAOYSA-N
MW489.58 g/mol
LogP4.89
Rot. Bonds6

About ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 142253187) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Nameethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID142253187
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Nameethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCC.COc1ccc(-n2nc(CN=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1
InChIInChI=1S/C25H25N5O4.C2H6/c1-34-20-11-9-19(10-12-20)30-24-21(22(27-30)16-26-33)13-15-29(25(24)32)18-7-5-17(6-8-18)28-14-3-2-4-23(28)31;1-2/h5-12H,2-4,13-16H2,1H3;1-2H3
InChIKeyYWZVDIVZZVPPCF-UHFFFAOYSA-N
XLogP4.89
TPSA97.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-[1-(cyclopentylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-3-(nitrosomethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 142832836
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
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
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
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
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
1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 10273395
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
1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10619709

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 142253187) is ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CC.COc1ccc(-n2nc(CN=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1.
What is the InChIKey of ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is YWZVDIVZZVPPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4.C2H6/c1-34-20-11-9-19(10-12-20)30-24-21(22(27-30)16-26-33)13-15-29(25(24)32)18-7-5-17(6-8-18)28-14-3-2-4-23(28)31;1-2/h5-12H,2-4,13-16H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 489.58 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methoxyphenyl)-3-(nitrosomethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 142253187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).