(4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide

C23H18F8N6O3S — CID 142285238

About (4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide

(4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 142285238) has the molecular formula C23H18F8N6O3S and a molecular weight of 610.49 g/mol. Its IUPAC name is (4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
• PubChem CID: 142285238
• Molecular Formula: C23H18F8N6O3S
• Molecular Weight: 610.49 g/mol
• Exact Mass: 610.10
• IUPAC Name: (4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
• SMILES: CC1[C@H](F)CC(C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2C(F)(F)F)N1S(=O)(=O)c1ccc(F)cn1
• InChI: InChI=1S/C23H18F8N6O3S/c1-11-16(25)5-18(37(11)41(39,40)19-3-2-14(24)9-33-19)20(38)34-6-12-4-17(32-10-15(12)22(26,27)28)13-7-35-21(36-8-13)23(29,30)31/h2-4,7-11,16,18H,5-6H2,1H3,(H,34,38)/t11?,16-,18?/m1/s1
• InChIKey: IJSKVFSJTJHSRF-GOVJDZJHSA-N
• XLogP: 3.92
• TPSA: 118.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.49
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?

The IUPAC name of (4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 142285238) is (4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide is CC1[C@H](F)CC(C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2C(F)(F)F)N1S(=O)(=O)c1ccc(F)cn1.

What is the InChIKey of (4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?

The InChIKey is IJSKVFSJTJHSRF-GOVJDZJHSA-N. The full InChI is InChI=1S/C23H18F8N6O3S/c1-11-16(25)5-18(37(11)41(39,40)19-3-2-14(24)9-33-19)20(38)34-6-12-4-17(32-10-15(12)22(26,27)28)13-7-35-21(36-8-13)23(29,30)31/h2-4,7-11,16,18H,5-6H2,1H3,(H,34,38)/t11?,16-,18?/m1/s1.

What are the key properties of (4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?

(4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 610.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142285238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).