N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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

C95H73ClF17N21O4S2 — CID 162175387

About N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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

N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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 (PubChem CID 162175387) has the molecular formula C95H73ClF17N21O4S2 and a molecular weight of 1995.32 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;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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.

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;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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
• PubChem CID: 162175387
• Molecular Formula: C95H73ClF17N21O4S2
• Molecular Weight: 1995.32 g/mol
• Exact Mass: 1993.50
• IUPAC Name: N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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
• SMILES: CCn1nc(-c2nccs2)cc1-c1cnc(NCc2c(F)cccc2F)nc1.CCn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)cc(C)cc2F)nc1.Cc1cc(F)c(CNc2ccc(-c3cc(C(F)(F)F)nn3C)cn2)c(F)c1.Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F.O=C(Nc1ccc(-c2nc3c(cc2Cl)OCCO3)cn1)c1c(F)cccc1F
• InChI: InChI=1S/C20H13F3N4OS.C19H12ClF2N3O3.C19H17F5N4.C19H16F2N6S.C18H15F5N4/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;1-3-28-16(8-17(27-28)19(22,23)24)12-4-5-18(25-9-12)26-10-13-14(20)6-11(2)7-15(13)21;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/h2-10H,1H3,(H,25,28);1-5,8-9H,6-7H2,(H,23,24,26);4-9H,3,10H2,1-2H3,(H,25,26);3-10H,2,11H2,1H3,(H,23,24,25);3-8H,9H2,1-2H3,(H,24,25)
• InChIKey: ZOICOWUIWDQBLC-UHFFFAOYSA-N
• XLogP: 23.33
• TPSA: 287.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1995.32
LogP ≤ 5	23.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

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;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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?

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;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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 (CID 162175387) is N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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.

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;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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?

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;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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 is CCn1nc(-c2nccs2)cc1-c1cnc(NCc2c(F)cccc2F)nc1.CCn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)cc(C)cc2F)nc1.Cc1cc(F)c(CNc2ccc(-c3cc(C(F)(F)F)nn3C)cn2)c(F)c1.Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F.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;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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?

The InChIKey is ZOICOWUIWDQBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4OS.C19H12ClF2N3O3.C19H17F5N4.C19H16F2N6S.C18H15F5N4/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;1-3-28-16(8-17(27-28)19(22,23)24)12-4-5-18(25-9-12)26-10-13-14(20)6-11(2)7-15(13)21;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/h2-10H,1H3,(H,25,28);1-5,8-9H,6-7H2,(H,23,24,26);4-9H,3,10H2,1-2H3,(H,25,26);3-10H,2,11H2,1H3,(H,23,24,25);3-8H,9H2,1-2H3,(H,24,25).

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;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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?

N-[5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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 has a molecular weight of 1995.32 g/mol, XLogP of 23.33, 22 rotatable bonds, 5 hydrogen bond donors, and 25 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;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;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 is sourced from PubChem (CID 162175387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).