(4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide

C45H38F6N10O8S — CID 167637729

About (4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide

(4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide (PubChem CID 167637729) has the molecular formula C45H38F6N10O8S and a molecular weight of 992.92 g/mol. Its IUPAC name is (4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide
• PubChem CID: 167637729
• Molecular Formula: C45H38F6N10O8S
• Molecular Weight: 992.92 g/mol
• Exact Mass: 992.25
• IUPAC Name: (4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1cc(C(F)(F)F)cc(N2C(=O)OC[C@H]2C(=O)N(C)c2ccc3cc[nH]c3n2)n1.Cc1ccc(S(=O)(=O)n2ccc3ccc(N(C)C(=O)[C@@H]4COC(=O)N4c4cc(C(F)(F)F)cc(C)n4)nc32)cc1
• InChI: InChI=1S/C26H22F3N5O5S.C19H16F3N5O3/c1-15-4-7-19(8-5-15)40(37,38)33-11-10-17-6-9-21(31-23(17)33)32(3)24(35)20-14-39-25(36)34(20)22-13-18(26(27,28)29)12-16(2)30-22;1-10-7-12(19(20,21)22)8-15(24-10)27-13(9-30-18(27)29)17(28)26(2)14-4-3-11-5-6-23-16(11)25-14/h4-13,20H,14H2,1-3H3;3-8,13H,9H2,1-2H3,(H,23,25)/t20-;13-/m00/s1
• InChIKey: OSFKHIPUDLTYAR-VMOGJLEASA-N
• XLogP: 7.57
• TPSA: 206.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	992.92
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide?

The IUPAC name of (4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide (CID 167637729) is (4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for (4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for (4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide is Cc1cc(C(F)(F)F)cc(N2C(=O)OC[C@H]2C(=O)N(C)c2ccc3cc[nH]c3n2)n1.Cc1ccc(S(=O)(=O)n2ccc3ccc(N(C)C(=O)[C@@H]4COC(=O)N4c4cc(C(F)(F)F)cc(C)n4)nc32)cc1.

What is the InChIKey of (4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide?

The InChIKey is OSFKHIPUDLTYAR-VMOGJLEASA-N. The full InChI is InChI=1S/C26H22F3N5O5S.C19H16F3N5O3/c1-15-4-7-19(8-5-15)40(37,38)33-11-10-17-6-9-21(31-23(17)33)32(3)24(35)20-14-39-25(36)34(20)22-13-18(26(27,28)29)12-16(2)30-22;1-10-7-12(19(20,21)22)8-15(24-10)27-13(9-30-18(27)29)17(28)26(2)14-4-3-11-5-6-23-16(11)25-14/h4-13,20H,14H2,1-3H3;3-8,13H,9H2,1-2H3,(H,23,25)/t20-;13-/m00/s1.

What are the key properties of (4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide?

(4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 992.92 g/mol, XLogP of 7.57, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-methyl-N-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide;(4S)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 167637729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).