6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide

C91H110F6N20O7 — CID 158436416

IUPAC6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide
SMILESCC(=O)Nc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)cn1.Cc1cc(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)cc(C)c1C.Cc1ccc(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)cc1C
InChIInChI=1S/C31H39FN6O2.C30H34F4N8O3.C30H37FN6O2/c1-19-11-24(12-20(2)23(19)5)30(39)35-28-13-26(25-15-33-31(34-16-25)37-7-9-40-10-8-37)27(32)14-29(28)38-17-21(3)36(6)22(4)18-38;1-17-15-42(16-18(2)40(17)4)26-11-24(31)21(20-12-36-29(37-13-20)41-5-7-45-8-6-41)9-25(26)39-28(44)22-14-35-27(38-19(3)43)10-23(22)30(32,33)34;1-19-6-7-23(12-20(19)2)29(38)34-27-13-25(24-15-32-30(33-16-24)36-8-10-39-11-9-36)26(31)14-28(27)37-17-21(3)35(5)22(4)18-37/h11-16,21-22H,7-10,17-18H2,1-6H3,(H,35,39);9-14,17-18H,5-8,15-16H2,1-4H3,(H,39,44)(H,35,38,43);6-7,12-16,21-22H,8-11,17-18H2,1-5H3,(H,34,38)/t21-,22+;17-,18+;21-,22+
InChIKeyHCGYEGUMENIZOY-GRNBNRPPSA-N
MW1710.00 g/mol
LogP13.62
Rot. Bonds16

About 6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide

6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide (PubChem CID 158436416) has the molecular formula C91H110F6N20O7 and a molecular weight of 1710.00 g/mol. Its IUPAC name is 6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide.

Molecular Properties

Compound Name6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide
PubChem CID158436416
Molecular FormulaC91H110F6N20O7
Molecular Weight1710.00 g/mol
Exact Mass1708.88
IUPAC Name6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide
SMILESCC(=O)Nc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)cn1.Cc1cc(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)cc(C)c1C.Cc1ccc(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)cc1C
InChIInChI=1S/C31H39FN6O2.C30H34F4N8O3.C30H37FN6O2/c1-19-11-24(12-20(2)23(19)5)30(39)35-28-13-26(25-15-33-31(34-16-25)37-7-9-40-10-8-37)27(32)14-29(28)38-17-21(3)36(6)22(4)18-38;1-17-15-42(16-18(2)40(17)4)26-11-24(31)21(20-12-36-29(37-13-20)41-5-7-45-8-6-41)9-25(26)39-28(44)22-14-35-27(38-19(3)43)10-23(22)30(32,33)34;1-19-6-7-23(12-20(19)2)29(38)34-27-13-25(24-15-32-30(33-16-24)36-8-10-39-11-9-36)26(31)14-28(27)37-17-21(3)35(5)22(4)18-37/h11-16,21-22H,7-10,17-18H2,1-6H3,(H,35,39);9-14,17-18H,5-8,15-16H2,1-4H3,(H,39,44)(H,35,38,43);6-7,12-16,21-22H,8-11,17-18H2,1-5H3,(H,34,38)/t21-,22+;17-,18+;21-,22+
InChIKeyHCGYEGUMENIZOY-GRNBNRPPSA-N
XLogP13.62
TPSA263.48 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001710.00
LogP ≤ 513.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide with MolForge

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Related Compounds

5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide
CID 86295251
N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90456244
US11319299, Example 431
CID 138541973
US11319299, Example 452
CID 138551336
US11319299, Example 430
CID 138551337
US11319299, Example 660
CID 138551409
US11319299, Example 736
CID 138551454
US11319299, Example 614
CID 138551504
US11319299, Example 298
CID 138551560
US11319299, Example 453
CID 138551579
US11319299, Example 512
CID 138551581
[6-[[5-Fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 166629456

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide?
The IUPAC name of 6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide (CID 158436416) is 6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide.
What is the SMILES notation for 6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide?
The canonical SMILES for 6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide is CC(=O)Nc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)cn1.Cc1cc(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)cc(C)c1C.Cc1ccc(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)cc1C.
What is the InChIKey of 6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide?
The InChIKey is HCGYEGUMENIZOY-GRNBNRPPSA-N. The full InChI is InChI=1S/C31H39FN6O2.C30H34F4N8O3.C30H37FN6O2/c1-19-11-24(12-20(2)23(19)5)30(39)35-28-13-26(25-15-33-31(34-16-25)37-7-9-40-10-8-37)27(32)14-29(28)38-17-21(3)36(6)22(4)18-38;1-17-15-42(16-18(2)40(17)4)26-11-24(31)21(20-12-36-29(37-13-20)41-5-7-45-8-6-41)9-25(26)39-28(44)22-14-35-27(38-19(3)43)10-23(22)30(32,33)34;1-19-6-7-23(12-20(19)2)29(38)34-27-13-25(24-15-32-30(33-16-24)36-8-10-39-11-9-36)26(31)14-28(27)37-17-21(3)35(5)22(4)18-37/h11-16,21-22H,7-10,17-18H2,1-6H3,(H,35,39);9-14,17-18H,5-8,15-16H2,1-4H3,(H,39,44)(H,35,38,43);6-7,12-16,21-22H,8-11,17-18H2,1-5H3,(H,34,38)/t21-,22+;17-,18+;21-,22+.
What are the key properties of 6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide?
6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide has a molecular weight of 1710.00 g/mol, XLogP of 13.62, 16 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4-dimethylbenzamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide is sourced from PubChem (CID 158436416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).