(3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C57H62F6N10O6 — CID 164970230

About (3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

(3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 164970230) has the molecular formula C57H62F6N10O6 and a molecular weight of 1097.17 g/mol. Its IUPAC name is (3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• PubChem CID: 164970230
• Molecular Formula: C57H62F6N10O6
• Molecular Weight: 1097.17 g/mol
• Exact Mass: 1096.48
• IUPAC Name: (3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• SMILES: COc1cc(-c2cc(-c3cc(NC(=O)N4CC[C@@H](CC(F)(F)F)C4)ccc3C)cc(N3CCOCC3)n2)ccn1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(-c2cc[nH]c(=O)c2)nc(N2CCOCC2)c1
• InChI: InChI=1S/C29H32F3N5O3.C28H30F3N5O3/c1-19-3-4-23(34-28(38)37-8-6-20(18-37)17-29(30,31)32)16-24(19)22-13-25(21-5-7-33-27(15-21)39-2)35-26(14-22)36-9-11-40-12-10-36;1-18-2-3-22(33-27(38)36-7-5-19(17-36)16-28(29,30)31)15-23(18)21-12-24(20-4-6-32-26(37)14-20)34-25(13-21)35-8-10-39-11-9-35/h3-5,7,13-16,20H,6,8-12,17-18H2,1-2H3,(H,34,38);2-4,6,12-15,19H,5,7-11,16-17H2,1H3,(H,32,37)(H,33,38)/t20-;19-/m00/s1
• InChIKey: DAESDZDUIBQFCT-VPRRGWHLSA-N
• XLogP: 10.83
• TPSA: 170.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1097.17
LogP ≤ 5	10.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The IUPAC name of (3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 164970230) is (3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

What is the SMILES notation for (3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The canonical SMILES for (3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is COc1cc(-c2cc(-c3cc(NC(=O)N4CC[C@@H](CC(F)(F)F)C4)ccc3C)cc(N3CCOCC3)n2)ccn1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(-c2cc[nH]c(=O)c2)nc(N2CCOCC2)c1.

What is the InChIKey of (3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The InChIKey is DAESDZDUIBQFCT-VPRRGWHLSA-N. The full InChI is InChI=1S/C29H32F3N5O3.C28H30F3N5O3/c1-19-3-4-23(34-28(38)37-8-6-20(18-37)17-29(30,31)32)16-24(19)22-13-25(21-5-7-33-27(15-21)39-2)35-26(14-22)36-9-11-40-12-10-36;1-18-2-3-22(33-27(38)36-7-5-19(17-36)16-28(29,30)31)15-23(18)21-12-24(20-4-6-32-26(37)14-20)34-25(13-21)35-8-10-39-11-9-35/h3-5,7,13-16,20H,6,8-12,17-18H2,1-2H3,(H,34,38);2-4,6,12-15,19H,5,7-11,16-17H2,1H3,(H,32,37)(H,33,38)/t20-;19-/m00/s1.

What are the key properties of (3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

(3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 1097.17 g/mol, XLogP of 10.83, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164970230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).