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

C28H34N4O5S — CID 118707613

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

1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 118707613) has the molecular formula C28H34N4O5S and a molecular weight of 538.67 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• PubChem CID: 118707613
• Molecular Formula: C28H34N4O5S
• Molecular Weight: 538.67 g/mol
• Exact Mass: 538.22
• IUPAC Name: 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• SMILES: COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN4CCOCC4)cc2)CC3)cc1
• InChI: InChI=1S/C28H34N4O5S/c1-28(2,19-30-15-17-37-18-16-30)20-5-7-21(8-6-20)31-14-13-24-25(27(31)33)32(29-26(24)38(4,34)35)22-9-11-23(36-3)12-10-22/h5-12H,13-19H2,1-4H3
• InChIKey: KYARGAFBYHOTCN-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 93.97 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.67
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

The IUPAC name of 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 118707613) is 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN4CCOCC4)cc2)CC3)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

The InChIKey is KYARGAFBYHOTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O5S/c1-28(2,19-30-15-17-37-18-16-30)20-5-7-21(8-6-20)31-14-13-24-25(27(31)33)32(29-26(24)38(4,34)35)22-9-11-23(36-3)12-10-22/h5-12H,13-19H2,1-4H3.

What are the key properties of 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 538.67 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-3-methylsulfonyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 118707613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).