N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3-cyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[4-[4-cyclopropyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,3-difluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;trihydrochloride

C108H95Cl4F10N25O5S3 — CID 159018993

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

N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3-cyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[4-[4-cyclopropyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,3-difluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;trihydrochloride (PubChem CID 159018993) has the molecular formula C108H95Cl4F10N25O5S3 and a molecular weight of 2251.11 g/mol. Its IUPAC name is N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3-cyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[4-[4-cyclopropyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,3-difluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;trihydrochloride.

Molecular Properties

• Compound Name: N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3-cyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[4-[4-cyclopropyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,3-difluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;trihydrochloride
• PubChem CID: 159018993
• Molecular Formula: C108H95Cl4F10N25O5S3
• Molecular Weight: 2251.11 g/mol
• Exact Mass: 2247.57
• IUPAC Name: N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3-cyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[4-[4-cyclopropyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,3-difluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;trihydrochloride
• SMILES: CC1=C(c2ccc(NC(=O)c3cccc(F)c3F)cc2)CN(c2nccs2)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(C)s2)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2C#N)CC1.Cl.Cl.Cl.Cn1nnc(N2CCC(C3CC3)=C(c3ccc(NC(=O)c4c(F)cccc4F)cc3)C2)n1.O=C(Nc1cnc(C2=C(Cl)CCN(c3nccs3)C2)cn1)c1c(F)cccc1F
• InChI: InChI=1S/C23H22F2N6O.C23H18F2N6O.C22H19F2N3OS.C21H19F2N5OS.C19H14ClF2N5OS.3ClH/c1-30-28-23(27-29-30)31-12-11-17(14-5-6-14)18(13-31)15-7-9-16(10-8-15)26-22(32)21-19(24)3-2-4-20(21)25;1-14-7-9-31(22-15(10-26)4-3-8-27-22)13-16(14)19-11-29-20(12-28-19)30-23(32)21-17(24)5-2-6-18(21)25;1-14-9-11-27(22-25-10-12-29-22)13-18(14)15-5-7-16(8-6-15)26-21(28)17-3-2-4-19(23)20(17)24;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;20-12-4-6-27(19-23-5-7-29-19)10-11(12)15-8-25-16(9-24-15)26-18(28)17-13(21)2-1-3-14(17)22;;;/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,26,32);2-6,8,11-12H,7,9,13H2,1H3,(H,29,30,32);2-8,10,12H,9,11,13H2,1H3,(H,26,28);3-5,8-10H,6-7,11H2,1-2H3,(H,25,27,29);1-3,5,7-9H,4,6,10H2,(H,25,26,28);3*1H
• InChIKey: XOGFQHZKEUOSDY-UHFFFAOYSA-N
• XLogP: 23.17
• TPSA: 357.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2251.11
LogP ≤ 5	23.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3-cyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[4-[4-cyclopropyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,3-difluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;trihydrochloride (CID 159018993) is N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3-cyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[4-[4-cyclopropyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,3-difluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;trihydrochloride.

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

The canonical SMILES for N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3-cyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[4-[4-cyclopropyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,3-difluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;trihydrochloride is CC1=C(c2ccc(NC(=O)c3cccc(F)c3F)cc2)CN(c2nccs2)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(C)s2)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2C#N)CC1.Cl.Cl.Cl.Cn1nnc(N2CCC(C3CC3)=C(c3ccc(NC(=O)c4c(F)cccc4F)cc3)C2)n1.O=C(Nc1cnc(C2=C(Cl)CCN(c3nccs3)C2)cn1)c1c(F)cccc1F.

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

The InChIKey is XOGFQHZKEUOSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O.C23H18F2N6O.C22H19F2N3OS.C21H19F2N5OS.C19H14ClF2N5OS.3ClH/c1-30-28-23(27-29-30)31-12-11-17(14-5-6-14)18(13-31)15-7-9-16(10-8-15)26-22(32)21-19(24)3-2-4-20(21)25;1-14-7-9-31(22-15(10-26)4-3-8-27-22)13-16(14)19-11-29-20(12-28-19)30-23(32)21-17(24)5-2-6-18(21)25;1-14-9-11-27(22-25-10-12-29-22)13-18(14)15-5-7-16(8-6-15)26-21(28)17-3-2-4-19(23)20(17)24;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;20-12-4-6-27(19-23-5-7-29-19)10-11(12)15-8-25-16(9-24-15)26-18(28)17-13(21)2-1-3-14(17)22;;;/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,26,32);2-6,8,11-12H,7,9,13H2,1H3,(H,29,30,32);2-8,10,12H,9,11,13H2,1H3,(H,26,28);3-5,8-10H,6-7,11H2,1-2H3,(H,25,27,29);1-3,5,7-9H,4,6,10H2,(H,25,26,28);3*1H.

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

N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3-cyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[4-[4-cyclopropyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,3-difluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;trihydrochloride has a molecular weight of 2251.11 g/mol, XLogP of 23.17, 21 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(3-cyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[4-[4-cyclopropyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,3-difluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;trihydrochloride is sourced from PubChem (CID 159018993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).