6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

C23H25N5O3S — CID 178053818

About 6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 178053818) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
• PubChem CID: 178053818
• Molecular Formula: C23H25N5O3S
• Molecular Weight: 451.55 g/mol
• Exact Mass: 451.17
• IUPAC Name: 6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
• SMILES: CCS(=O)(=O)N1CCc2nn(-c3cncc(-c4ccc5c(c4)CCC(=O)N5C)c3)cc2C1
• InChI: InChI=1S/C23H25N5O3S/c1-3-32(30,31)27-9-8-21-19(14-27)15-28(25-21)20-11-18(12-24-13-20)16-4-6-22-17(10-16)5-7-23(29)26(22)2/h4,6,10-13,15H,3,5,7-9,14H2,1-2H3
• InChIKey: RLDHRXWIDLARPT-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 88.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.55
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?

The IUPAC name of 6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 178053818) is 6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?

The canonical SMILES for 6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is CCS(=O)(=O)N1CCc2nn(-c3cncc(-c4ccc5c(c4)CCC(=O)N5C)c3)cc2C1.

What is the InChIKey of 6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?

The InChIKey is RLDHRXWIDLARPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-3-32(30,31)27-9-8-21-19(14-27)15-28(25-21)20-11-18(12-24-13-20)16-4-6-22-17(10-16)5-7-23(29)26(22)2/h4,6,10-13,15H,3,5,7-9,14H2,1-2H3.

What are the key properties of 6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?

6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 451.55 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 178053818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).