N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide

C60H61F8N15O5S4 — CID 167703380

About N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide

N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 167703380) has the molecular formula C60H61F8N15O5S4 and a molecular weight of 1352.50 g/mol. Its IUPAC name is N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 167703380
• Molecular Formula: C60H61F8N15O5S4
• Molecular Weight: 1352.50 g/mol
• Exact Mass: 1351.37
• IUPAC Name: N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
• SMILES: O=C(Nc1nc2cccc(-c3ccc(CN4CCC(C(F)(F)F)CC4)s3)n2n1)[C@H]1C[C@@H]1F.O=C(Nc1nc2cccc(-c3ccc(CN4CCC(F)(F)CC4)s3)n2n1)[C@H]1C[C@@H]1F.O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1(F)CC1
• InChI: InChI=1S/C21H21F4N5OS.C20H20F3N5OS.C19H20FN5O3S2/c22-15-10-14(15)19(31)27-20-26-18-3-1-2-16(30(18)28-20)17-5-4-13(32-17)11-29-8-6-12(7-9-29)21(23,24)25;21-14-10-13(14)18(29)25-19-24-17-3-1-2-15(28(17)26-19)16-5-4-12(30-16)11-27-8-6-20(22,23)7-9-27;20-19(6-7-19)17(26)22-18-21-16-3-1-2-14(25(16)23-18)15-5-4-13(29-15)12-24-8-10-30(27,28)11-9-24/h1-5,12,14-15H,6-11H2,(H,27,28,31);1-5,13-14H,6-11H2,(H,25,26,29);1-5H,6-12H2,(H,22,23,26)/t14-,15-;13-,14-;/m00./s1
• InChIKey: YSQOSUDCEDUXKY-BHAWGALCSA-N
• XLogP: 10.64
• TPSA: 221.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1352.50
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?

The IUPAC name of N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 167703380) is N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?

The canonical SMILES for N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide is O=C(Nc1nc2cccc(-c3ccc(CN4CCC(C(F)(F)F)CC4)s3)n2n1)[C@H]1C[C@@H]1F.O=C(Nc1nc2cccc(-c3ccc(CN4CCC(F)(F)CC4)s3)n2n1)[C@H]1C[C@@H]1F.O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1(F)CC1.

What is the InChIKey of N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?

The InChIKey is YSQOSUDCEDUXKY-BHAWGALCSA-N. The full InChI is InChI=1S/C21H21F4N5OS.C20H20F3N5OS.C19H20FN5O3S2/c22-15-10-14(15)19(31)27-20-26-18-3-1-2-16(30(18)28-20)17-5-4-13(32-17)11-29-8-6-12(7-9-29)21(23,24)25;21-14-10-13(14)18(29)25-19-24-17-3-1-2-15(28(17)26-19)16-5-4-12(30-16)11-27-8-6-20(22,23)7-9-27;20-19(6-7-19)17(26)22-18-21-16-3-1-2-14(25(16)23-18)15-5-4-13(29-15)12-24-8-10-30(27,28)11-9-24/h1-5,12,14-15H,6-11H2,(H,27,28,31);1-5,13-14H,6-11H2,(H,25,26,29);1-5H,6-12H2,(H,22,23,26)/t14-,15-;13-,14-;/m00./s1.

What are the key properties of N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?

N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 1352.50 g/mol, XLogP of 10.64, 15 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167703380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).