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

C27H32F3N7O5S2 — CID 122432314

About N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroacetyl)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-trifluoroacetyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 122432314) has the molecular formula C27H32F3N7O5S2 and a molecular weight of 655.73 g/mol. Its IUPAC name is N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroacetyl)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-trifluoroacetyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide
• PubChem CID: 122432314
• Molecular Formula: C27H32F3N7O5S2
• Molecular Weight: 655.73 g/mol
• Exact Mass: 655.19
• IUPAC Name: N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide
• SMILES: COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)C(F)(F)F)CC4)c(C)sc23)cc1NS(=O)(=O)C1CC1
• InChI: InChI=1S/C27H32F3N7O5S2/c1-16-19(15-35-5-7-36(8-6-35)25(38)27(28,29)30)22-23(43-16)21(32-26(33-22)37-9-11-42-12-10-37)17-13-20(24(41-2)31-14-17)34-44(39,40)18-3-4-18/h13-14,18,34H,3-12,15H2,1-2H3
• InChIKey: CTZWNFBBCSXMAV-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 130.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.73
LogP ≤ 5	3.02
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-trifluoroacetyl)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-trifluoroacetyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide (CID 122432314) is N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroacetyl)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-trifluoroacetyl)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-trifluoroacetyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)C(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-trifluoroacetyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide?

The InChIKey is CTZWNFBBCSXMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N7O5S2/c1-16-19(15-35-5-7-36(8-6-35)25(38)27(28,29)30)22-23(43-16)21(32-26(33-22)37-9-11-42-12-10-37)17-13-20(24(41-2)31-14-17)34-44(39,40)18-3-4-18/h13-14,18,34H,3-12,15H2,1-2H3.

What are the key properties of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroacetyl)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-trifluoroacetyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 655.73 g/mol, XLogP of 3.02, 8 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-trifluoroacetyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 122432314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).