1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C28H30N4O5S — CID 44581457

IUPAC1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C4(CN5CCCC5=O)CC4)cc2)CC3)cc1
InChIInChI=1S/C28H30N4O5S/c1-37-22-11-9-21(10-12-22)32-25-23(26(29-32)38(2,35)36)13-17-31(27(25)34)20-7-5-19(6-8-20)28(14-15-28)18-30-16-3-4-24(30)33/h5-12H,3-4,13-18H2,1-2H3
InChIKeyLETIREDJFXZCNR-UHFFFAOYSA-N
MW534.64 g/mol
LogP3.14
Rot. Bonds7

About 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 44581457) has the molecular formula C28H30N4O5S and a molecular weight of 534.64 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID44581457
Molecular FormulaC28H30N4O5S
Molecular Weight534.64 g/mol
Exact Mass534.19
IUPAC Name1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C4(CN5CCCC5=O)CC4)cc2)CC3)cc1
InChIInChI=1S/C28H30N4O5S/c1-37-22-11-9-21(10-12-22)32-25-23(26(29-32)38(2,35)36)13-17-31(27(25)34)20-7-5-19(6-8-20)28(14-15-28)18-30-16-3-4-24(30)33/h5-12H,3-4,13-18H2,1-2H3
InChIKeyLETIREDJFXZCNR-UHFFFAOYSA-N
XLogP3.14
TPSA101.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.64
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(2'-Methanesulfonyl-biphenyl-4-yl)-7-oxo-3-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[3,4-c]pyridin-1-yl]-5-methoxy-benzamide
CID 23646185
2-{6-[4-(2-methanesulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-1-yl}-5-methoxybenzene-1-sulfonamide
CID 23646186
1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 24836819
Pyrazole-based inhibitor containing N-arylpiperidiny, 16a
CID 16664096
6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phenyl)phenyl]-3-methanesulfonyl-1-(4-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 23636240
1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23636370
6-[4-(2-methanesulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 23646184
1-(2-amino-4-methoxyphenyl)-6-[4-(2-methanesulfonylphenyl)phenyl]-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 23646187
1-(4-methoxyphenyl)-6-(4-(1-((methylamino)methyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 9890878
N-((1-(4-(1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridin-6(7H)-yl)phenyl)cyclopropyl)methyl)-N-methylmethanesulfonamide
CID 10099008
6-(4-(1-((dimethylamino)methyl)cyclopropyl)phenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 10345230
6-[4-[1-(Diethylaminomethyl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10346320

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 44581457) is 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C4(CN5CCCC5=O)CC4)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is LETIREDJFXZCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O5S/c1-37-22-11-9-21(10-12-22)32-25-23(26(29-32)38(2,35)36)13-17-31(27(25)34)20-7-5-19(6-8-20)28(14-15-28)18-30-16-3-4-24(30)33/h5-12H,3-4,13-18H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 534.64 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 44581457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).