1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide

C36H37ClF3N5O6S — CID 148756965

About 1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide

1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide (PubChem CID 148756965) has the molecular formula C36H37ClF3N5O6S and a molecular weight of 760.24 g/mol. Its IUPAC name is 1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide
• PubChem CID: 148756965
• Molecular Formula: C36H37ClF3N5O6S
• Molecular Weight: 760.24 g/mol
• Exact Mass: 759.21
• IUPAC Name: 1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide
• SMILES: O=C(CCC1(C(=O)CC2(C(=O)NS(=O)(=O)C3CC3)CC2)CC1)c1ccc(Cc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1
• InChI: InChI=1S/C36H37ClF3N5O6S/c37-25-7-5-24(6-8-25)35(17-18-35)44-31-41-29(42-32(43-31)51-21-36(38,39)40)19-22-1-3-23(4-2-22)27(46)11-12-33(13-14-33)28(47)20-34(15-16-34)30(48)45-52(49,50)26-9-10-26/h1-8,26H,9-21H2,(H,45,48)(H,41,42,43,44)
• InChIKey: OFUKAZKRHDLUBK-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 157.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.24
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide?

The IUPAC name of 1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide (CID 148756965) is 1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide.

What is the SMILES notation for 1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide?

The canonical SMILES for 1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide is O=C(CCC1(C(=O)CC2(C(=O)NS(=O)(=O)C3CC3)CC2)CC1)c1ccc(Cc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1.

What is the InChIKey of 1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide?

The InChIKey is OFUKAZKRHDLUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37ClF3N5O6S/c37-25-7-5-24(6-8-25)35(17-18-35)44-31-41-29(42-32(43-31)51-21-36(38,39)40)19-22-1-3-23(4-2-22)27(46)11-12-33(13-14-33)28(47)20-34(15-16-34)30(48)45-52(49,50)26-9-10-26/h1-8,26H,9-21H2,(H,45,48)(H,41,42,43,44).

What are the key properties of 1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide?

1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide has a molecular weight of 760.24 g/mol, XLogP of 6.25, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[1-[3-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]methyl]phenyl]-3-oxopropyl]cyclopropyl]-2-oxoethyl]-N-cyclopropylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 148756965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).