N'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide)

C92H96F14N30O8 — CID 157274910

IUPACN'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide)
SMILESCC(=O)CNc1nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.CC1COCCN1c1nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.Cc1cc(NCCCN2CCOCC2)nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)n1.Cc1cc(NCCCN2CCOCC2)nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)n1
InChIInChI=1S/2C25H29F3N8O2.C22H21F4N7O2.C20H17F4N7O2/c2*1-17-14-22(29-8-3-9-36-10-12-38-13-11-36)33-24(31-17)35-34-23(37)21-7-6-20(16-30-21)32-19-5-2-4-18(15-19)25(26,27)28;1-13-12-35-8-7-33(13)19-17(23)11-28-21(30-19)32-31-20(34)18-6-5-16(10-27-18)29-15-4-2-3-14(9-15)22(24,25)26;1-11(32)8-26-17-15(21)10-27-19(29-17)31-30-18(33)16-6-5-14(9-25-16)28-13-4-2-3-12(7-13)20(22,23)24/h2*2,4-7,14-16,32H,3,8-13H2,1H3,(H,34,37)(H2,29,31,33,35);2-6,9-11,13,29H,7-8,12H2,1H3,(H,31,34)(H,28,30,32);2-7,9-10,28H,8H2,1H3,(H,30,33)(H2,26,27,29,31)
InChIKeyAYZCPLGEZNILEY-UHFFFAOYSA-N
MW2015.95 g/mol
LogP14.95
Rot. Bonds34

About N'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide)

N'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide) (PubChem CID 157274910) has the molecular formula C92H96F14N30O8 and a molecular weight of 2015.95 g/mol. Its IUPAC name is N'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide).

Molecular Properties

Compound NameN'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide)
PubChem CID157274910
Molecular FormulaC92H96F14N30O8
Molecular Weight2015.95 g/mol
Exact Mass2014.78
IUPAC NameN'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide)
SMILESCC(=O)CNc1nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.CC1COCCN1c1nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.Cc1cc(NCCCN2CCOCC2)nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)n1.Cc1cc(NCCCN2CCOCC2)nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)n1
InChIInChI=1S/2C25H29F3N8O2.C22H21F4N7O2.C20H17F4N7O2/c2*1-17-14-22(29-8-3-9-36-10-12-38-13-11-36)33-24(31-17)35-34-23(37)21-7-6-20(16-30-21)32-19-5-2-4-18(15-19)25(26,27)28;1-13-12-35-8-7-33(13)19-17(23)11-28-21(30-19)32-31-20(34)18-6-5-16(10-27-18)29-15-4-2-3-14(9-15)22(24,25)26;1-11(32)8-26-17-15(21)10-27-19(29-17)31-30-18(33)16-6-5-14(9-25-16)28-13-4-2-3-12(7-13)20(22,23)24/h2*2,4-7,14-16,32H,3,8-13H2,1H3,(H,34,37)(H2,29,31,33,35);2-6,9-11,13,29H,7-8,12H2,1H3,(H,31,34)(H,28,30,32);2-7,9-10,28H,8H2,1H3,(H,30,33)(H2,26,27,29,31)
InChIKeyAYZCPLGEZNILEY-UHFFFAOYSA-N
XLogP14.95
TPSA457.89 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds34
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002015.95
LogP ≤ 514.95
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze N'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide) with MolForge

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Related Compounds

N-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)imino-5-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 44176886
5-[3-(dimethylamino)-5-(trifluoromethyl)anilino]-N-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminopyridine-2-carboxamide
CID 44176888
(2E)-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)imino-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethanone
CID 44177361
(2E)-1-[5-[3-(dimethylamino)-5-(trifluoromethyl)anilino]pyridin-2-yl]-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminoethanone
CID 44177462
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
5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 58876735
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-ethyl-4-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]-3-pyridinyl]amino]benzamide
CID 58876752
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58876766
5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 58876768

Frequently Asked Questions

What is the IUPAC name of N'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide)?
The IUPAC name of N'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide) (CID 157274910) is N'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide).
What is the SMILES notation for N'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide)?
The canonical SMILES for N'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide) is CC(=O)CNc1nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.CC1COCCN1c1nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.Cc1cc(NCCCN2CCOCC2)nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)n1.Cc1cc(NCCCN2CCOCC2)nc(NNC(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)n1.
What is the InChIKey of N'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide)?
The InChIKey is AYZCPLGEZNILEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H29F3N8O2.C22H21F4N7O2.C20H17F4N7O2/c2*1-17-14-22(29-8-3-9-36-10-12-38-13-11-36)33-24(31-17)35-34-23(37)21-7-6-20(16-30-21)32-19-5-2-4-18(15-19)25(26,27)28;1-13-12-35-8-7-33(13)19-17(23)11-28-21(30-19)32-31-20(34)18-6-5-16(10-27-18)29-15-4-2-3-14(9-15)22(24,25)26;1-11(32)8-26-17-15(21)10-27-19(29-17)31-30-18(33)16-6-5-14(9-25-16)28-13-4-2-3-12(7-13)20(22,23)24/h2*2,4-7,14-16,32H,3,8-13H2,1H3,(H,34,37)(H2,29,31,33,35);2-6,9-11,13,29H,7-8,12H2,1H3,(H,31,34)(H,28,30,32);2-7,9-10,28H,8H2,1H3,(H,30,33)(H2,26,27,29,31).
What are the key properties of N'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide)?
N'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide) has a molecular weight of 2015.95 g/mol, XLogP of 14.95, 34 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-oxopropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;bis(N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide) is sourced from PubChem (CID 157274910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).