[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid

C19H24F2N6O5S — CID 90012171

About [5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid

[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid (PubChem CID 90012171) has the molecular formula C19H24F2N6O5S and a molecular weight of 486.50 g/mol. Its IUPAC name is [5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid.

Molecular Properties

• Compound Name: [5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid
• PubChem CID: 90012171
• Molecular Formula: C19H24F2N6O5S
• Molecular Weight: 486.50 g/mol
• Exact Mass: 486.15
• IUPAC Name: [5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid
• SMILES: Cc1nn(C(F)F)cc1S(=O)(=O)N1CC(CN2CCC(O)C2)Cc2ncc(NC(=O)O)cc21
• InChI: InChI=1S/C19H24F2N6O5S/c1-11-17(10-26(24-11)18(20)21)33(31,32)27-8-12(7-25-3-2-14(28)9-25)4-15-16(27)5-13(6-22-15)23-19(29)30/h5-6,10,12,14,18,23,28H,2-4,7-9H2,1H3,(H,29,30)
• InChIKey: ABDIUTMOYKUVRI-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 140.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.50
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid?

The IUPAC name of [5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid (CID 90012171) is [5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid.

What is the SMILES notation for [5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid?

The canonical SMILES for [5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid is Cc1nn(C(F)F)cc1S(=O)(=O)N1CC(CN2CCC(O)C2)Cc2ncc(NC(=O)O)cc21.

What is the InChIKey of [5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid?

The InChIKey is ABDIUTMOYKUVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N6O5S/c1-11-17(10-26(24-11)18(20)21)33(31,32)27-8-12(7-25-3-2-14(28)9-25)4-15-16(27)5-13(6-22-15)23-19(29)30/h5-6,10,12,14,18,23,28H,2-4,7-9H2,1H3,(H,29,30).

What are the key properties of [5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid?

[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid has a molecular weight of 486.50 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(3-hydroxypyrrolidin-1-yl)methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid is sourced from PubChem (CID 90012171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).