N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide

C27H34F3N7O4S2 — CID 122432282

About N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide

N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 122432282) has the molecular formula C27H34F3N7O4S2 and a molecular weight of 641.74 g/mol. Its IUPAC name is N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide
• PubChem CID: 122432282
• Molecular Formula: C27H34F3N7O4S2
• Molecular Weight: 641.74 g/mol
• Exact Mass: 641.21
• IUPAC Name: N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide
• SMILES: COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(CC(F)(F)F)CC4)c(C)sc23)cc1NS(=O)(=O)C1CC1
• InChI: InChI=1S/C27H34F3N7O4S2/c1-17-20(15-35-5-7-36(8-6-35)16-27(28,29)30)23-24(42-17)22(32-26(33-23)37-9-11-41-12-10-37)18-13-21(25(40-2)31-14-18)34-43(38,39)19-3-4-19/h13-14,19,34H,3-12,15-16H2,1-2H3
• InChIKey: HGGJKIJHPCDDPZ-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 113.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.74
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide?

The IUPAC name of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide (CID 122432282) is N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide?

The canonical SMILES for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(CC(F)(F)F)CC4)c(C)sc23)cc1NS(=O)(=O)C1CC1.

What is the InChIKey of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide?

The InChIKey is HGGJKIJHPCDDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N7O4S2/c1-17-20(15-35-5-7-36(8-6-35)16-27(28,29)30)23-24(42-17)22(32-26(33-23)37-9-11-41-12-10-37)18-13-21(25(40-2)31-14-18)34-43(38,39)19-3-4-19/h13-14,19,34H,3-12,15-16H2,1-2H3.

What are the key properties of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide?

N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 641.74 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 122432282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).