N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide

C79H88F9N19O4 — CID 162062633

IUPACN-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide
SMILESC=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cnc(N(C)C)nc3)c(F)cc2N2CCN(C)CC2)=CN1.C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cncnc3)c(F)cc2N2CCN(C)CC2)=CN1.Cc1cc(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)cc(C)c1C
InChIInChI=1S/C31H39FN6O2.C25H27F4N7O.C23H22F4N6O/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;1-15-9-19(25(27,28)29)18(14-30-15)23(37)33-21-10-17(16-12-31-24(32-13-16)34(2)3)20(26)11-22(21)36-7-5-35(4)6-8-36;1-14-7-18(23(25,26)27)17(12-30-14)22(34)31-20-8-16(15-10-28-13-29-11-15)19(24)9-21(20)33-5-3-32(2)4-6-33/h11-16,21-22H,7-10,17-18H2,1-6H3,(H,35,39);9-14,30H,1,5-8H2,2-4H3,(H,33,37);7-13,30H,1,3-6H2,2H3,(H,31,34)/t21-,22+;;
InChIKeyZAAUKDMGGOXKHN-WANFXGKWSA-N
MW1538.68 g/mol
LogP11.82
Rot. Bonds14

About N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide

N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide (PubChem CID 162062633) has the molecular formula C79H88F9N19O4 and a molecular weight of 1538.68 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide
PubChem CID162062633
Molecular FormulaC79H88F9N19O4
Molecular Weight1538.68 g/mol
Exact Mass1537.71
IUPAC NameN-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide
SMILESC=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cnc(N(C)C)nc3)c(F)cc2N2CCN(C)CC2)=CN1.C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cncnc3)c(F)cc2N2CCN(C)CC2)=CN1.Cc1cc(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)cc(C)c1C
InChIInChI=1S/C31H39FN6O2.C25H27F4N7O.C23H22F4N6O/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;1-15-9-19(25(27,28)29)18(14-30-15)23(37)33-21-10-17(16-12-31-24(32-13-16)34(2)3)20(26)11-22(21)36-7-5-35(4)6-8-36;1-14-7-18(23(25,26)27)17(12-30-14)22(34)31-20-8-16(15-10-28-13-29-11-15)19(24)9-21(20)33-5-3-32(2)4-6-33/h11-16,21-22H,7-10,17-18H2,1-6H3,(H,35,39);9-14,30H,1,5-8H2,2-4H3,(H,33,37);7-13,30H,1,3-6H2,2H3,(H,31,34)/t21-,22+;;
InChIKeyZAAUKDMGGOXKHN-WANFXGKWSA-N
XLogP11.82
TPSA223.85 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001538.68
LogP ≤ 511.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 161351820
N-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-4-fluoro-3,5-dimethylbenzamide
CID 138551314
3-ethyl-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 138551535
N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3-methoxybenzamide
CID 137377064
4-(difluoromethyl)-N-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-1-methyl-6-methylidenepyridine-3-carboxamide
CID 161383830
N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-3H-pyridazine-3-carboxamide
CID 164607870
N-[5-[5-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 159008891
4-fluoro-5-[6-[4-(5-methylhexa-1,5-dien-2-yl)piperazin-1-yl]-3-pyridinyl]-N-[1-[6-methylidene-4-(trifluoromethyl)-1H-pyridin-3-yl]ethenyl]-2-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 153380271
N-[3-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluoro-6-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-4-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide
CID 155379722
N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138542495
N-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 138551329
3,5-dichloro-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzamide
CID 138542054

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide?
The IUPAC name of N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide (CID 162062633) is N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide.
What is the SMILES notation for N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide?
The canonical SMILES for N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide is C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cnc(N(C)C)nc3)c(F)cc2N2CCN(C)CC2)=CN1.C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cncnc3)c(F)cc2N2CCN(C)CC2)=CN1.Cc1cc(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)cc(C)c1C.
What is the InChIKey of N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide?
The InChIKey is ZAAUKDMGGOXKHN-WANFXGKWSA-N. The full InChI is InChI=1S/C31H39FN6O2.C25H27F4N7O.C23H22F4N6O/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;1-15-9-19(25(27,28)29)18(14-30-15)23(37)33-21-10-17(16-12-31-24(32-13-16)34(2)3)20(26)11-22(21)36-7-5-35(4)6-8-36;1-14-7-18(23(25,26)27)17(12-30-14)22(34)31-20-8-16(15-10-28-13-29-11-15)19(24)9-21(20)33-5-3-32(2)4-6-33/h11-16,21-22H,7-10,17-18H2,1-6H3,(H,35,39);9-14,30H,1,5-8H2,2-4H3,(H,33,37);7-13,30H,1,3-6H2,2H3,(H,31,34)/t21-,22+;;.
What are the key properties of N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide?
N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide has a molecular weight of 1538.68 g/mol, XLogP of 11.82, 14 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)pyrimidin-5-yl]-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-pyrimidin-5-ylphenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,4,5-trimethylbenzamide is sourced from PubChem (CID 162062633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).