4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine

C65H55F6N13O12 — CID 160571192

IUPAC4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
SMILESCNC(=O)c1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1.CNC(=O)c1ccc(C(=O)O)cc1.CNC(=O)c1ccc(C(=O)OC)cc1.COC(=O)c1ccc(C(=O)O)cc1.Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1
InChIInChI=1S/C23H17F3N6O2.C14H10F3N5.C10H11NO3.C9H9NO3.C9H8O4/c1-27-21(33)14-4-6-15(7-5-14)22(34)30-20-9-8-17(13-29-20)32-19(23(24,25)26)11-18(31-32)16-3-2-10-28-12-16;15-14(16,17)12-6-11(9-2-1-5-19-7-9)21-22(12)10-3-4-13(18)20-8-10;1-11-9(12)7-3-5-8(6-4-7)10(13)14-2;1-10-8(11)6-2-4-7(5-3-6)9(12)13;1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-13H,1H3,(H,27,33)(H,29,30,34);1-8H,(H2,18,20);3-6H,1-2H3,(H,11,12);2-5H,1H3,(H,10,11)(H,12,13);2-5H,1H3,(H,10,11)
InChIKeyRAONWOZYOOBNLO-UHFFFAOYSA-N
MW1324.22 g/mol
LogP9.64
Rot. Bonds13

About 4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine

4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine (PubChem CID 160571192) has the molecular formula C65H55F6N13O12 and a molecular weight of 1324.22 g/mol. Its IUPAC name is 4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
PubChem CID160571192
Molecular FormulaC65H55F6N13O12
Molecular Weight1324.22 g/mol
Exact Mass1323.40
IUPAC Name4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
SMILESCNC(=O)c1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1.CNC(=O)c1ccc(C(=O)O)cc1.CNC(=O)c1ccc(C(=O)OC)cc1.COC(=O)c1ccc(C(=O)O)cc1.Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1
InChIInChI=1S/C23H17F3N6O2.C14H10F3N5.C10H11NO3.C9H9NO3.C9H8O4/c1-27-21(33)14-4-6-15(7-5-14)22(34)30-20-9-8-17(13-29-20)32-19(23(24,25)26)11-18(31-32)16-3-2-10-28-12-16;15-14(16,17)12-6-11(9-2-1-5-19-7-9)21-22(12)10-3-4-13(18)20-8-10;1-11-9(12)7-3-5-8(6-4-7)10(13)14-2;1-10-8(11)6-2-4-7(5-3-6)9(12)13;1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-13H,1H3,(H,27,33)(H,29,30,34);1-8H,(H2,18,20);3-6H,1-2H3,(H,11,12);2-5H,1H3,(H,10,11)(H,12,13);2-5H,1H3,(H,10,11)
InChIKeyRAONWOZYOOBNLO-UHFFFAOYSA-N
XLogP9.64
TPSA356.82 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001324.22
LogP ≤ 59.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze 4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine with MolForge

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Related Compounds

Methyl 4-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]carbamoyl]benzoate
CID 57861574
4-[[5-[3-Pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]carbamoyl]benzoic acid
CID 57861868
4-[[2-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-yl]-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-4-yl]carbamoyl]benzoic acid
CID 66836905
4-[[2-[2-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)pyridin-4-yl]-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-4-yl]carbamoyl]benzoic acid
CID 67127889
(1S,4S)-5-[4-[4-[(4-methoxycarbonylbenzoyl)amino]-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 67128150
4-[[2-[2-[(1S,4S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-yl]-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-4-yl]carbamoyl]benzoic acid
CID 67128220
Methyl 4-[[[4,6-diamino-2-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-methoxycarbonylamino]methyl]benzoate
CID 69256688
Methyl 4-[[5-[3-(3,4-dihydropyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoate
CID 71189613
1-N-[[4-[5-[1-[6-[(4-tert-butylbenzoyl)amino]-3-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-pyridinyl]cyclohexyl]methyl]-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
CID 143484182
4-[hydroxy(methoxy)methyl]-N-[5-[3-(3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide
CID 143484581
N-[2-[[[4-[4-[(cyanomethylamino)-hydroxymethyl]phenyl]-5-methylpyrimidin-2-yl]-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]amino]methyl-methylamino]ethyl]-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide
CID 154930999
3-methylsulfonylbenzoic acid;3-methylsulfonyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
CID 157084983

Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
The IUPAC name of 4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine (CID 160571192) is 4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine.
What is the SMILES notation for 4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
The canonical SMILES for 4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine is CNC(=O)c1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1.CNC(=O)c1ccc(C(=O)O)cc1.CNC(=O)c1ccc(C(=O)OC)cc1.COC(=O)c1ccc(C(=O)O)cc1.Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1.
What is the InChIKey of 4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
The InChIKey is RAONWOZYOOBNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O2.C14H10F3N5.C10H11NO3.C9H9NO3.C9H8O4/c1-27-21(33)14-4-6-15(7-5-14)22(34)30-20-9-8-17(13-29-20)32-19(23(24,25)26)11-18(31-32)16-3-2-10-28-12-16;15-14(16,17)12-6-11(9-2-1-5-19-7-9)21-22(12)10-3-4-13(18)20-8-10;1-11-9(12)7-3-5-8(6-4-7)10(13)14-2;1-10-8(11)6-2-4-7(5-3-6)9(12)13;1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-13H,1H3,(H,27,33)(H,29,30,34);1-8H,(H2,18,20);3-6H,1-2H3,(H,11,12);2-5H,1H3,(H,10,11)(H,12,13);2-5H,1H3,(H,10,11).
What are the key properties of 4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine has a molecular weight of 1324.22 g/mol, XLogP of 9.64, 13 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine is sourced from PubChem (CID 160571192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).