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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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

C110H85Cl2F22N23O6S — CID 157117320

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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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 157117320) has the molecular formula C110H85Cl2F22N23O6S and a molecular weight of 2345.97 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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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: 157117320
• Molecular Formula: C110H85Cl2F22N23O6S
• Molecular Weight: 2345.97 g/mol
• Exact Mass: 2343.58
• 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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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(C(=O)Nc2ccc(-n3nc(C(F)F)cc3C)c(F)c2)c(F)c1.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/C19H12ClF2N3O3.2C19H14F5N3O.C19H16F2N6S.C17H13ClF4N4O.C17H16F4N4/c20-11-8-14-19(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;1-9-5-13(21)17(14(22)6-9)19(28)25-11-3-4-16(12(20)8-11)27-10(2)7-15(26-27)18(23)24;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;1-25-6-5-11(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/h1-5,8-9H,6-7H2,(H,23,24,26);2*3-8,18H,1-2H3,(H,25,28);3-10H,2,11H2,1H3,(H,23,24,25);3-8H,1-2H3,(H,23,27);3-5,7-8,23H,6,9H2,1-2H3
• InChIKey: AHOFDHUDIFFYDK-UHFFFAOYSA-N
• XLogP: 27.12
• TPSA: 329.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2345.97
LogP ≤ 5	27.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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 157117320) 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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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(C(=O)Nc2ccc(-n3nc(C(F)F)cc3C)c(F)c2)c(F)c1.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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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 AHOFDHUDIFFYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3O3.2C19H14F5N3O.C19H16F2N6S.C17H13ClF4N4O.C17H16F4N4/c20-11-8-14-19(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;1-9-5-13(21)17(14(22)6-9)19(28)25-11-3-4-16(12(20)8-11)27-10(2)7-15(26-27)18(23)24;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;1-25-6-5-11(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/h1-5,8-9H,6-7H2,(H,23,24,26);2*3-8,18H,1-2H3,(H,25,28);3-10H,2,11H2,1H3,(H,23,24,25);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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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 2345.97 g/mol, XLogP of 27.12, 24 rotatable bonds, 6 hydrogen bond donors, and 26 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;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;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 157117320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).