(3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C26H32F4N4O4 — CID 167395770

About (3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

(3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 167395770) has the molecular formula C26H32F4N4O4 and a molecular weight of 540.56 g/mol. Its IUPAC name is (3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• PubChem CID: 167395770
• Molecular Formula: C26H32F4N4O4
• Molecular Weight: 540.56 g/mol
• Exact Mass: 540.24
• IUPAC Name: (3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• SMILES: Cc1cc(F)c(NC(=O)N2CC[C@H](CC(F)(F)F)C2)cc1-c1cc(OC[C@@H](C)O)nc(N2CCOCC2)c1
• InChI: InChI=1S/C26H32F4N4O4/c1-16-9-21(27)22(31-25(36)34-4-3-18(14-34)13-26(28,29)30)12-20(16)19-10-23(33-5-7-37-8-6-33)32-24(11-19)38-15-17(2)35/h9-12,17-18,35H,3-8,13-15H2,1-2H3,(H,31,36)/t17-,18-/m1/s1
• InChIKey: QEIUYCYWCGUGPK-QZTJIDSGSA-N
• XLogP: 4.60
• TPSA: 87.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.56
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The IUPAC name of (3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 167395770) is (3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

What is the SMILES notation for (3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The canonical SMILES for (3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is Cc1cc(F)c(NC(=O)N2CC[C@H](CC(F)(F)F)C2)cc1-c1cc(OC[C@@H](C)O)nc(N2CCOCC2)c1.

What is the InChIKey of (3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The InChIKey is QEIUYCYWCGUGPK-QZTJIDSGSA-N. The full InChI is InChI=1S/C26H32F4N4O4/c1-16-9-21(27)22(31-25(36)34-4-3-18(14-34)13-26(28,29)30)12-20(16)19-10-23(33-5-7-37-8-6-33)32-24(11-19)38-15-17(2)35/h9-12,17-18,35H,3-8,13-15H2,1-2H3,(H,31,36)/t17-,18-/m1/s1.

What are the key properties of (3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

(3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 540.56 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 167395770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).