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

C31H32N4O5S — CID 23636240

IUPAC6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1
InChIInChI=1S/C31H32N4O5S/c1-40-26-13-11-24(12-14-26)35-29-28(30(32-35)41(2,38)39)16-18-34(31(29)37)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-33-17-15-25(36)20-33/h3-14,25,36H,15-20H2,1-2H3/t25-/m1/s1
InChIKeyOLQWKYOEBUBVRX-RUZDIDTESA-N
MW572.69 g/mol
LogP3.72
Rot. Bonds7

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

6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 23636240) has the molecular formula C31H32N4O5S and a molecular weight of 572.69 g/mol. Its IUPAC name is 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID23636240
Molecular FormulaC31H32N4O5S
Molecular Weight572.69 g/mol
Exact Mass572.21
IUPAC Name6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1
InChIInChI=1S/C31H32N4O5S/c1-40-26-13-11-24(12-14-26)35-29-28(30(32-35)41(2,38)39)16-18-34(31(29)37)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-33-17-15-25(36)20-33/h3-14,25,36H,15-20H2,1-2H3/t25-/m1/s1
InChIKeyOLQWKYOEBUBVRX-RUZDIDTESA-N
XLogP3.72
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.69
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 23636240) is 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1.
What is the InChIKey of 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is OLQWKYOEBUBVRX-RUZDIDTESA-N. The full InChI is InChI=1S/C31H32N4O5S/c1-40-26-13-11-24(12-14-26)35-29-28(30(32-35)41(2,38)39)16-18-34(31(29)37)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-33-17-15-25(36)20-33/h3-14,25,36H,15-20H2,1-2H3/t25-/m1/s1.
What are the key properties of 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 572.69 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 23636240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).