propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate

C22H30F3N5O6S — CID 144873520

About propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate

propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate (PubChem CID 144873520) has the molecular formula C22H30F3N5O6S and a molecular weight of 549.57 g/mol. Its IUPAC name is propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate.

Molecular Properties

• Compound Name: propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate
• PubChem CID: 144873520
• Molecular Formula: C22H30F3N5O6S
• Molecular Weight: 549.57 g/mol
• Exact Mass: 549.19
• IUPAC Name: propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate
• SMILES: CCC(=O)O.CCn1cc(S(=O)(=O)N2CCCc3ncc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(C)n1
• InChI: InChI=1S/C19H24F3N5O4S.C3H6O2/c1-5-26-11-16(12(2)25-26)32(29,30)27-8-6-7-14-15(27)9-13(10-23-14)24-17(28)31-18(3,4)19(20,21)22;1-2-3(4)5/h9-11H,5-8H2,1-4H3,(H,24,28);2H2,1H3,(H,4,5)
• InChIKey: SDRYTABIOZJDSA-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 143.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.57
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?

The IUPAC name of propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate (CID 144873520) is propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate.

What is the SMILES notation for propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?

The canonical SMILES for propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate is CCC(=O)O.CCn1cc(S(=O)(=O)N2CCCc3ncc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(C)n1.

What is the InChIKey of propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?

The InChIKey is SDRYTABIOZJDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O4S.C3H6O2/c1-5-26-11-16(12(2)25-26)32(29,30)27-8-6-7-14-15(27)9-13(10-23-14)24-17(28)31-18(3,4)19(20,21)22;1-2-3(4)5/h9-11H,5-8H2,1-4H3,(H,24,28);2H2,1H3,(H,4,5).

What are the key properties of propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?

propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate has a molecular weight of 549.57 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propanoic acid;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[5-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate is sourced from PubChem (CID 144873520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).