N'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide

C97H91F15N32O6 — CID 157208658

IUPACN'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
SMILESCC1CCN(c2cc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)N1.CC1CCNN1c1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.Cc1cncc(-c2cc(C)nc(NNC(=O)c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)n2)c1.Cc1ncccc1-c1nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F
InChIInChI=1S/2C25H27F4N9O2.C24H20F3N7O.C23H17F4N7O/c1-15-4-5-38(36-15)19-11-16(25(27,28)29)10-18(12-19)32-17-2-3-21(30-13-17)23(39)34-35-24-31-14-20(26)22(33-24)37-6-8-40-9-7-37;1-15-4-5-32-38(15)19-11-16(25(27,28)29)10-18(12-19)33-17-2-3-21(30-13-17)23(39)35-36-24-31-14-20(26)22(34-24)37-6-8-40-9-7-37;1-14-8-16(12-28-11-14)21-9-15(2)30-23(32-21)34-33-22(35)20-7-6-19(13-29-20)31-18-5-3-4-17(10-18)24(25,26)27;1-13-17(6-3-9-28-13)20-18(24)12-30-22(32-20)34-33-21(35)19-8-7-16(11-29-19)31-15-5-2-4-14(10-15)23(25,26)27/h2-3,10-15,32,36H,4-9H2,1H3,(H,34,39)(H,31,33,35);2-3,10-15,32-33H,4-9H2,1H3,(H,35,39)(H,31,34,36);3-13,31H,1-2H3,(H,33,35)(H,30,32,34);2-12,31H,1H3,(H,33,35)(H,30,32,34)
InChIKeyARQGFNHNPOLDFC-UHFFFAOYSA-N
MW2085.98 g/mol
LogP16.91
Rot. Bonds26

About N'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide

N'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 157208658) has the molecular formula C97H91F15N32O6 and a molecular weight of 2085.98 g/mol. Its IUPAC name is N'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
PubChem CID157208658
Molecular FormulaC97H91F15N32O6
Molecular Weight2085.98 g/mol
Exact Mass2084.76
IUPAC NameN'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
SMILESCC1CCN(c2cc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)N1.CC1CCNN1c1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.Cc1cncc(-c2cc(C)nc(NNC(=O)c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)n2)c1.Cc1ncccc1-c1nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F
InChIInChI=1S/2C25H27F4N9O2.C24H20F3N7O.C23H17F4N7O/c1-15-4-5-38(36-15)19-11-16(25(27,28)29)10-18(12-19)32-17-2-3-21(30-13-17)23(39)34-35-24-31-14-20(26)22(33-24)37-6-8-40-9-7-37;1-15-4-5-32-38(15)19-11-16(25(27,28)29)10-18(12-19)33-17-2-3-21(30-13-17)23(39)35-36-24-31-14-20(26)22(34-24)37-6-8-40-9-7-37;1-14-8-16(12-28-11-14)21-9-15(2)30-23(32-21)34-33-22(35)20-7-6-19(13-29-20)31-18-5-3-4-17(10-18)24(25,26)27;1-13-17(6-3-9-28-13)20-18(24)12-30-22(32-20)34-33-21(35)19-8-7-16(11-29-19)31-15-5-2-4-14(10-15)23(25,26)27/h2-3,10-15,32,36H,4-9H2,1H3,(H,34,39)(H,31,33,35);2-3,10-15,32-33H,4-9H2,1H3,(H,35,39)(H,31,34,36);3-13,31H,1-2H3,(H,33,35)(H,30,32,34);2-12,31H,1H3,(H,33,35)(H,30,32,34)
InChIKeyARQGFNHNPOLDFC-UHFFFAOYSA-N
XLogP16.91
TPSA448.58 Ų
H-Bond Donors14
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002085.98
LogP ≤ 516.91
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide with MolForge

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Related Compounds

5-[3-(dimethylamino)-5-(trifluoromethyl)anilino]-N-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminopyridine-2-carboxamide
CID 44176888
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide
CID 57945995
5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 58876696
N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58876731
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide
CID 58876732
N'-[5-fluoro-4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58876746
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58876766
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide
CID 58876798
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58876809
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide
CID 58876851
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-methylanilino]pyridine-2-carbohydrazide
CID 58876854
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58876855

Frequently Asked Questions

What is the IUPAC name of N'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The IUPAC name of N'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (CID 157208658) is N'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is CC1CCN(c2cc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)N1.CC1CCNN1c1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.Cc1cncc(-c2cc(C)nc(NNC(=O)c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)n2)c1.Cc1ncccc1-c1nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.
What is the InChIKey of N'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The InChIKey is ARQGFNHNPOLDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H27F4N9O2.C24H20F3N7O.C23H17F4N7O/c1-15-4-5-38(36-15)19-11-16(25(27,28)29)10-18(12-19)32-17-2-3-21(30-13-17)23(39)34-35-24-31-14-20(26)22(33-24)37-6-8-40-9-7-37;1-15-4-5-32-38(15)19-11-16(25(27,28)29)10-18(12-19)33-17-2-3-21(30-13-17)23(39)35-36-24-31-14-20(26)22(34-24)37-6-8-40-9-7-37;1-14-8-16(12-28-11-14)21-9-15(2)30-23(32-21)34-33-22(35)20-7-6-19(13-29-20)31-18-5-3-4-17(10-18)24(25,26)27;1-13-17(6-3-9-28-13)20-18(24)12-30-22(32-20)34-33-21(35)19-8-7-16(11-29-19)31-15-5-2-4-14(10-15)23(25,26)27/h2-3,10-15,32,36H,4-9H2,1H3,(H,34,39)(H,31,33,35);2-3,10-15,32-33H,4-9H2,1H3,(H,35,39)(H,31,34,36);3-13,31H,1-2H3,(H,33,35)(H,30,32,34);2-12,31H,1H3,(H,33,35)(H,30,32,34).
What are the key properties of N'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
N'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide has a molecular weight of 2085.98 g/mol, XLogP of 16.91, 26 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 157208658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).