4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide

C88H73F10N25O5S — CID 123938381

IUPAC4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide
SMILESCN(c1cncnc1)c1cc(NC(=O)c2cc(C(C)(F)F)ccn2)ccc1F.CN(c1cncnc1)c1cc(NC(=O)c2cscn2)cc(F)c1F.Cc1ccc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)nc1.Cc1ccc(F)c(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2cc(F)c(F)c(N(C)c3cncnc3)c2)n1
InChIInChI=1S/C19H16F3N5O.2C18H15F2N5O.C18H16FN5O.C15H11F2N5OS/c1-19(21,22)12-5-6-25-16(7-12)18(28)26-13-3-4-15(20)17(8-13)27(2)14-9-23-11-24-10-14;1-11-3-5-15(20)17(23-11)18(26)24-12-4-6-14(19)16(7-12)25(2)13-8-21-10-22-9-13;1-11-4-3-5-15(23-11)18(26)24-12-6-14(19)17(20)16(7-12)25(2)13-8-21-10-22-9-13;1-12-3-6-16(22-8-12)18(25)23-13-4-5-15(19)17(7-13)24(2)14-9-20-11-21-10-14;1-22(10-4-18-7-19-5-10)13-3-9(2-11(16)14(13)17)21-15(23)12-6-24-8-20-12/h3-11H,1-2H3,(H,26,28);2*3-10H,1-2H3,(H,24,26);3-11H,1-2H3,(H,23,25);2-8H,1H3,(H,21,23)
InChIKeyWDAQZZROUJXRSN-UHFFFAOYSA-N
MW1782.77 g/mol
LogP17.67
Rot. Bonds21

About 4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide

4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide (PubChem CID 123938381) has the molecular formula C88H73F10N25O5S and a molecular weight of 1782.77 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide
PubChem CID123938381
Molecular FormulaC88H73F10N25O5S
Molecular Weight1782.77 g/mol
Exact Mass1781.58
IUPAC Name4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide
SMILESCN(c1cncnc1)c1cc(NC(=O)c2cc(C(C)(F)F)ccn2)ccc1F.CN(c1cncnc1)c1cc(NC(=O)c2cscn2)cc(F)c1F.Cc1ccc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)nc1.Cc1ccc(F)c(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2cc(F)c(F)c(N(C)c3cncnc3)c2)n1
InChIInChI=1S/C19H16F3N5O.2C18H15F2N5O.C18H16FN5O.C15H11F2N5OS/c1-19(21,22)12-5-6-25-16(7-12)18(28)26-13-3-4-15(20)17(8-13)27(2)14-9-23-11-24-10-14;1-11-3-5-15(20)17(23-11)18(26)24-12-4-6-14(19)16(7-12)25(2)13-8-21-10-22-9-13;1-11-4-3-5-15(23-11)18(26)24-12-6-14(19)17(20)16(7-12)25(2)13-8-21-10-22-9-13;1-12-3-6-16(22-8-12)18(25)23-13-4-5-15(19)17(7-13)24(2)14-9-20-11-21-10-14;1-22(10-4-18-7-19-5-10)13-3-9(2-11(16)14(13)17)21-15(23)12-6-24-8-20-12/h3-11H,1-2H3,(H,26,28);2*3-10H,1-2H3,(H,24,26);3-11H,1-2H3,(H,23,25);2-8H,1H3,(H,21,23)
InChIKeyWDAQZZROUJXRSN-UHFFFAOYSA-N
XLogP17.67
TPSA355.05 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001782.77
LogP ≤ 517.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide with MolForge

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Related Compounds

3-Amino-N-[4-[6-amino-2-(trifluoromethyl)-4-pyrimidinyl]-3-pyridinyl]-6-(2-thiazolyl)-2-pyridinecarboxamide
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CID 127032072
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-[5-(5-fluoropyridin-2-yl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 130341812
N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 54585892
US10906896, Cpd 8290
CID 122650687
US10906896, Cpd 8280
CID 122650689
US10906896, Cpd 8270
CID 122650690
N-[3-[5-[2-[3-(4-ethyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2,6-difluorobenzamide
CID 67006185
2,6-difluoro-N-[3-[5-[2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 67006299
N-[3-[5-[2-[3-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2,6-difluorobenzamide
CID 67006520
N-[3-[5-[2-[3-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2,6-difluorobenzamide
CID 67006546
N-{3-[5-(2-{[4-(1,4'-bipiperidin-1'-yl)-3-fluorophenyl]amino}-4-pyrimidinyl)-2-ethyl-1,3-thiazol-4-yl]phenyl}-2,6-difluorobenzamide
CID 67104813

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide?
The IUPAC name of 4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide (CID 123938381) is 4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide is CN(c1cncnc1)c1cc(NC(=O)c2cc(C(C)(F)F)ccn2)ccc1F.CN(c1cncnc1)c1cc(NC(=O)c2cscn2)cc(F)c1F.Cc1ccc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)nc1.Cc1ccc(F)c(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2cc(F)c(F)c(N(C)c3cncnc3)c2)n1.
What is the InChIKey of 4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide?
The InChIKey is WDAQZZROUJXRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O.2C18H15F2N5O.C18H16FN5O.C15H11F2N5OS/c1-19(21,22)12-5-6-25-16(7-12)18(28)26-13-3-4-15(20)17(8-13)27(2)14-9-23-11-24-10-14;1-11-3-5-15(20)17(23-11)18(26)24-12-4-6-14(19)16(7-12)25(2)13-8-21-10-22-9-13;1-11-4-3-5-15(23-11)18(26)24-12-6-14(19)17(20)16(7-12)25(2)13-8-21-10-22-9-13;1-12-3-6-16(22-8-12)18(25)23-13-4-5-15(19)17(7-13)24(2)14-9-20-11-21-10-14;1-22(10-4-18-7-19-5-10)13-3-9(2-11(16)14(13)17)21-15(23)12-6-24-8-20-12/h3-11H,1-2H3,(H,26,28);2*3-10H,1-2H3,(H,24,26);3-11H,1-2H3,(H,23,25);2-8H,1H3,(H,21,23).
What are the key properties of 4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide?
4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide has a molecular weight of 1782.77 g/mol, XLogP of 17.67, 21 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 123938381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).