2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide

C84H79Cl3F5N23O4S2 — CID 159846907

About 2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide

2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide (PubChem CID 159846907) has the molecular formula C84H79Cl3F5N23O4S2 and a molecular weight of 1740.20 g/mol. Its IUPAC name is 2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide
• PubChem CID: 159846907
• Molecular Formula: C84H79Cl3F5N23O4S2
• Molecular Weight: 1740.20 g/mol
• Exact Mass: 1737.51
• IUPAC Name: 2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide
• SMILES: CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nc(Cl)cs2)CC1.CC1=C(c2ccc(NC(=O)c3cc(F)ccc3C)nc2)CN(c2nnn(C)n2)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3Cl)cn2)CN(c2ncc(C)s2)CC1.CCn1nnc(N2CCC(C)=C(c3cnc(NC(=O)c4c(F)cccc4Cl)cn3)C2)n1
• InChI: InChI=1S/C22H18ClF2N3OS.C21H19ClFN5OS.C21H22FN7O.C20H20ClFN8O/c1-13-9-10-28(22-27-19(23)12-30-22)11-16(13)14-5-7-15(8-6-14)26-21(29)20-17(24)3-2-4-18(20)25;1-12-6-7-28(21-26-8-13(2)30-21)11-14(12)17-9-25-18(10-24-17)27-20(29)19-15(22)4-3-5-16(19)23;1-13-4-6-16(22)10-17(13)20(30)24-19-7-5-15(11-23-19)18-12-29(9-8-14(18)2)21-25-27-28(3)26-21;1-3-30-27-20(26-28-30)29-8-7-12(2)13(11-29)16-9-24-17(10-23-16)25-19(31)18-14(21)5-4-6-15(18)22/h2-8,12H,9-11H2,1H3,(H,26,29);3-5,8-10H,6-7,11H2,1-2H3,(H,25,27,29);4-7,10-11H,8-9,12H2,1-3H3,(H,23,24,30);4-6,9-10H,3,7-8,11H2,1-2H3,(H,24,25,31)
• InChIKey: NPKQZDHXALKITG-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 306.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1740.20
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide?

The IUPAC name of 2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide (CID 159846907) is 2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide.

What is the SMILES notation for 2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide?

The canonical SMILES for 2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide is CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nc(Cl)cs2)CC1.CC1=C(c2ccc(NC(=O)c3cc(F)ccc3C)nc2)CN(c2nnn(C)n2)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3Cl)cn2)CN(c2ncc(C)s2)CC1.CCn1nnc(N2CCC(C)=C(c3cnc(NC(=O)c4c(F)cccc4Cl)cn3)C2)n1.

What is the InChIKey of 2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide?

The InChIKey is NPKQZDHXALKITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N3OS.C21H19ClFN5OS.C21H22FN7O.C20H20ClFN8O/c1-13-9-10-28(22-27-19(23)12-30-22)11-16(13)14-5-7-15(8-6-14)26-21(29)20-17(24)3-2-4-18(20)25;1-12-6-7-28(21-26-8-13(2)30-21)11-14(12)17-9-25-18(10-24-17)27-20(29)19-15(22)4-3-5-16(19)23;1-13-4-6-16(22)10-17(13)20(30)24-19-7-5-15(11-23-19)18-12-29(9-8-14(18)2)21-25-27-28(3)26-21;1-3-30-27-20(26-28-30)29-8-7-12(2)13(11-29)16-9-24-17(10-23-16)25-19(31)18-14(21)5-4-6-15(18)22/h2-8,12H,9-11H2,1H3,(H,26,29);3-5,8-10H,6-7,11H2,1-2H3,(H,25,27,29);4-7,10-11H,8-9,12H2,1-3H3,(H,23,24,30);4-6,9-10H,3,7-8,11H2,1-2H3,(H,24,25,31).

What are the key properties of 2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide?

2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide has a molecular weight of 1740.20 g/mol, XLogP of 17.18, 17 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[5-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-6-fluorobenzamide;2-chloro-6-fluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;N-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;5-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 159846907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).