1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea

C24H24F9N5O2S — CID 174220455

About 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea

1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea (PubChem CID 174220455) has the molecular formula C24H24F9N5O2S and a molecular weight of 617.54 g/mol. Its IUPAC name is 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea.

Molecular Properties

• Compound Name: 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea
• PubChem CID: 174220455
• Molecular Formula: C24H24F9N5O2S
• Molecular Weight: 617.54 g/mol
• Exact Mass: 617.15
• IUPAC Name: 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea
• SMILES: CCN(C(=O)NC(CCC(F)(F)F)C(F)(F)F)C(c1cnc(SC)c(-c2cc(OC)n3nccc3c2)c1)C(F)(F)F
• InChI: InChI=1S/C24H24F9N5O2S/c1-4-37(21(39)36-17(23(28,29)30)5-7-22(25,26)27)19(24(31,32)33)14-10-16(20(41-3)34-12-14)13-9-15-6-8-35-38(15)18(11-13)40-2/h6,8-12,17,19H,4-5,7H2,1-3H3,(H,36,39)
• InChIKey: BSWLENHEIDZZPF-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.54
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea?

The IUPAC name of 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea (CID 174220455) is 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea.

What is the SMILES notation for 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea?

The canonical SMILES for 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea is CCN(C(=O)NC(CCC(F)(F)F)C(F)(F)F)C(c1cnc(SC)c(-c2cc(OC)n3nccc3c2)c1)C(F)(F)F.

What is the InChIKey of 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea?

The InChIKey is BSWLENHEIDZZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F9N5O2S/c1-4-37(21(39)36-17(23(28,29)30)5-7-22(25,26)27)19(24(31,32)33)14-10-16(20(41-3)34-12-14)13-9-15-6-8-35-38(15)18(11-13)40-2/h6,8-12,17,19H,4-5,7H2,1-3H3,(H,36,39).

What are the key properties of 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea?

1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea has a molecular weight of 617.54 g/mol, XLogP of 7.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[2,2,2-trifluoro-1-[5-(7-methoxypyrazolo[1,5-a]pyridin-5-yl)-6-methylsulfanyl-3-pyridinyl]ethyl]urea is sourced from PubChem (CID 174220455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).