UMQVIXIFMANMNP-UHFFFAOYSA-N

C₃₂H₃₃F₃N₄O₃S — CID 59426143

About UMQVIXIFMANMNP-UHFFFAOYSA-N

UMQVIXIFMANMNP-UHFFFAOYSA-N (PubChem CID 59426143) has the molecular formula C₃₂H₃₃F₃N₄O₃S and a molecular weight of 610.70 g/mol. Its IUPAC name is 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indol-2-yl]phenyl]urea.

Molecular Properties

• Compound Name: UMQVIXIFMANMNP-UHFFFAOYSA-N
• PubChem CID: 59426143
• Molecular Formula: C₃₂H₃₃F₃N₄O₃S
• Molecular Weight: 610.70 g/mol
• Exact Mass: 610.22
• IUPAC Name: 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indol-2-yl]phenyl]urea
• SMILES: O=C(Nc1ccc(-c2c(-c3nc(C(F)(F)F)cs3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
• InChI: InChI=1S/C32H33F3N4O3S/c33-32(34,35)27-18-43-30(38-27)28-25-12-11-24(42-23-13-15-41-16-14-23)17-26(25)39(22-5-2-6-22)29(28)19-7-9-21(10-8-19)37-31(40)36-20-3-1-4-20/h7-12,17-18,20,22-23H,1-6,13-16H2,(H2,36,37,40)
• InChIKey: UMQVIXIFMANMNP-UHFFFAOYSA-N
• XLogP: 8.41
• TPSA: 77.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.70
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of UMQVIXIFMANMNP-UHFFFAOYSA-N?

The IUPAC name of UMQVIXIFMANMNP-UHFFFAOYSA-N (CID 59426143) is 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]indol-2-yl]phenyl]urea.

What is the SMILES notation for UMQVIXIFMANMNP-UHFFFAOYSA-N?

The canonical SMILES for UMQVIXIFMANMNP-UHFFFAOYSA-N is O=C(Nc1ccc(-c2c(-c3nc(C(F)(F)F)cs3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.

What is the InChIKey of UMQVIXIFMANMNP-UHFFFAOYSA-N?

The InChIKey is UMQVIXIFMANMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N4O3S/c33-32(34,35)27-18-43-30(38-27)28-25-12-11-24(42-23-13-15-41-16-14-23)17-26(25)39(22-5-2-6-22)29(28)19-7-9-21(10-8-19)37-31(40)36-20-3-1-4-20/h7-12,17-18,20,22-23H,1-6,13-16H2,(H2,36,37,40).

What are the key properties of UMQVIXIFMANMNP-UHFFFAOYSA-N?

UMQVIXIFMANMNP-UHFFFAOYSA-N has a molecular weight of 610.70 g/mol, XLogP of 8.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for UMQVIXIFMANMNP-UHFFFAOYSA-N is sourced from PubChem (CID 59426143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59426143 — identifiers, structure, computed properties (public domain)

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