N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline

C129H99Cl2F25N28O6S2 — CID 161263145

About N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline

N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline (PubChem CID 161263145) has the molecular formula C129H99Cl2F25N28O6S2 and a molecular weight of 2747.39 g/mol. Its IUPAC name is N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline.

Molecular Properties

• Compound Name: N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
• PubChem CID: 161263145
• Molecular Formula: C129H99Cl2F25N28O6S2
• Molecular Weight: 2747.39 g/mol
• Exact Mass: 2744.67
• IUPAC Name: N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
• SMILES: CC1=NCC=C1CNc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.CCn1nc(-c2nccs2)cc1-c1cnc(NCc2c(F)cccc2F)nc1.Cc1cc(F)c(C(=O)Nc2ccc(-c3cc(C(F)F)nn3C)c(F)c2)c(F)c1.Cc1cc(F)c(CNc2ccc(-c3cc(C(F)(F)F)nn3C)cn2)c(F)c1.Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F.Cn1ccc(Cl)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.O=C(Nc1ccc(-c2nc3c(cc2Cl)OCCO3)cn1)c1c(F)cccc1F
• InChI: InChI=1S/C20H13F3N4OS.C19H12ClF2N3O3.C19H14F5N3O.C19H16F2N6S.C18H15F5N4.C17H13ClF4N4O.C17H16F4N4/c1-11-14(10-27(26-11)20-24-7-8-29-20)13-6-5-12(9-17(13)23)25-19(28)18-15(21)3-2-4-16(18)22;20-11-8-14-19(28-7-6-27-14)25-17(11)10-4-5-15(23-9-10)24-18(26)16-12(21)2-1-3-13(16)22;1-9-5-13(21)17(14(22)6-9)19(28)25-10-3-4-11(12(20)7-10)16-8-15(18(23)24)26-27(16)2;1-2-27-17(8-16(26-27)18-22-6-7-28-18)12-9-23-19(24-10-12)25-11-13-14(20)4-3-5-15(13)21;1-10-5-13(19)12(14(20)6-10)9-25-17-4-3-11(8-24-17)15-7-16(18(21,22)23)26-27(15)2;1-25-6-5-11(18)15(25)16(27)23-9-3-4-10(12(19)7-9)13-8-14(17(20,21)22)24-26(13)2;1-10-11(5-6-22-10)9-23-12-3-4-13(14(18)7-12)15-8-16(17(19,20)21)24-25(15)2/h2-10H,1H3,(H,25,28);1-5,8-9H,6-7H2,(H,23,24,26);3-8,18H,1-2H3,(H,25,28);3-10H,2,11H2,1H3,(H,23,24,25);3-8H,9H2,1-2H3,(H,24,25);3-8H,1-2H3,(H,23,27);3-5,7-8,23H,6,9H2,1-2H3
• InChIKey: VCVCHMGRKNTWDA-UHFFFAOYSA-N
• XLogP: 31.70
• TPSA: 385.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2747.39
LogP ≤ 5	31.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?

The IUPAC name of N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline (CID 161263145) is N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline.

What is the SMILES notation for N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?

The canonical SMILES for N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline is CC1=NCC=C1CNc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.CCn1nc(-c2nccs2)cc1-c1cnc(NCc2c(F)cccc2F)nc1.Cc1cc(F)c(C(=O)Nc2ccc(-c3cc(C(F)F)nn3C)c(F)c2)c(F)c1.Cc1cc(F)c(CNc2ccc(-c3cc(C(F)(F)F)nn3C)cn2)c(F)c1.Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F.Cn1ccc(Cl)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.O=C(Nc1ccc(-c2nc3c(cc2Cl)OCCO3)cn1)c1c(F)cccc1F.

What is the InChIKey of N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?

The InChIKey is VCVCHMGRKNTWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4OS.C19H12ClF2N3O3.C19H14F5N3O.C19H16F2N6S.C18H15F5N4.C17H13ClF4N4O.C17H16F4N4/c1-11-14(10-27(26-11)20-24-7-8-29-20)13-6-5-12(9-17(13)23)25-19(28)18-15(21)3-2-4-16(18)22;20-11-8-14-19(28-7-6-27-14)25-17(11)10-4-5-15(23-9-10)24-18(26)16-12(21)2-1-3-13(16)22;1-9-5-13(21)17(14(22)6-9)19(28)25-10-3-4-11(12(20)7-10)16-8-15(18(23)24)26-27(16)2;1-2-27-17(8-16(26-27)18-22-6-7-28-18)12-9-23-19(24-10-12)25-11-13-14(20)4-3-5-15(13)21;1-10-5-13(19)12(14(20)6-10)9-25-17-4-3-11(8-24-17)15-7-16(18(21,22)23)26-27(15)2;1-25-6-5-11(18)15(25)16(27)23-9-3-4-10(12(19)7-9)13-8-14(17(20,21)22)24-26(13)2;1-10-11(5-6-22-10)9-23-12-3-4-13(14(18)7-12)15-8-16(17(19,20)21)24-25(15)2/h2-10H,1H3,(H,25,28);1-5,8-9H,6-7H2,(H,23,24,26);3-8,18H,1-2H3,(H,25,28);3-10H,2,11H2,1H3,(H,23,24,25);3-8H,9H2,1-2H3,(H,24,25);3-8H,1-2H3,(H,23,27);3-5,7-8,23H,6,9H2,1-2H3.

What are the key properties of N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?

N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline has a molecular weight of 2747.39 g/mol, XLogP of 31.70, 28 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline is sourced from PubChem (CID 161263145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).