N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C44H32F3N9O7S3 — CID 88919753

About N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 88919753) has the molecular formula C44H32F3N9O7S3 and a molecular weight of 951.99 g/mol. Its IUPAC name is N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
• PubChem CID: 88919753
• Molecular Formula: C44H32F3N9O7S3
• Molecular Weight: 951.99 g/mol
• Exact Mass: 951.15
• IUPAC Name: N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
• SMILES: Cc1nc(-c2cccc(S(=O)(=O)c3ccc(CNC(=O)c4cnc5nccn5c4)cc3)c2)no1.O=C(NCc1ccc(S(=O)(=O)c2cc(C(F)(F)F)ccn2)cc1)c1cc2ccncc2s1
• InChI: InChI=1S/C23H18N6O4S.C21H14F3N3O3S2/c1-15-27-21(28-33-15)17-3-2-4-20(11-17)34(31,32)19-7-5-16(6-8-19)12-25-22(30)18-13-26-23-24-9-10-29(23)14-18;22-21(23,24)15-6-8-26-19(10-15)32(29,30)16-3-1-13(2-4-16)11-27-20(28)17-9-14-5-7-25-12-18(14)31-17/h2-11,13-14H,12H2,1H3,(H,25,30);1-10,12H,11H2,(H,27,28)
• InChIKey: RKDQDJDOWKTGMN-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 221.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	951.99
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 88919753) is N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is Cc1nc(-c2cccc(S(=O)(=O)c3ccc(CNC(=O)c4cnc5nccn5c4)cc3)c2)no1.O=C(NCc1ccc(S(=O)(=O)c2cc(C(F)(F)F)ccn2)cc1)c1cc2ccncc2s1.

What is the InChIKey of N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?

The InChIKey is RKDQDJDOWKTGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O4S.C21H14F3N3O3S2/c1-15-27-21(28-33-15)17-3-2-4-20(11-17)34(31,32)19-7-5-16(6-8-19)12-25-22(30)18-13-26-23-24-9-10-29(23)14-18;22-21(23,24)15-6-8-26-19(10-15)32(29,30)16-3-1-13(2-4-16)11-27-20(28)17-9-14-5-7-25-12-18(14)31-17/h2-11,13-14H,12H2,1H3,(H,25,30);1-10,12H,11H2,(H,27,28).

What are the key properties of N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?

N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 951.99 g/mol, XLogP of 7.32, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 88919753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).