3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

C125H108F10N28O12S3 — CID 165108476

About 3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 165108476) has the molecular formula C125H108F10N28O12S3 and a molecular weight of 2480.60 g/mol. Its IUPAC name is 3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
• PubChem CID: 165108476
• Molecular Formula: C125H108F10N28O12S3
• Molecular Weight: 2480.60 g/mol
• Exact Mass: 2478.77
• IUPAC Name: 3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
• SMILES: CC(c1ccccc1OC(F)(F)F)N1CCc2ncc(-c3ccc4nc(N)sc4c3)cc2C1=O.COc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1C(=O)NC(C)c1ccccc1OC(F)(F)F.Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cccnc3OC3CCCC3)cc21.Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cccnc3OCC3CC3)cc21.Nc1nc2ccc(-c3cnc4c(c3)C(=O)N(Cc3cc(OC(F)(F)F)ccc3F)CC4)cc2s1
• InChI: InChI=1S/C27H23F3N4O4S.C26H26N8O2.C25H24N8O2.C24H19F3N4O2S.C23H16F4N4O2S/c1-14(18-5-3-4-6-21(18)38-27(28,29)30)32-24(36)19-11-17(13-31-25(19)37-2)16-9-10-20-22(12-16)39-26(33-20)34-23(35)15-7-8-15;1-33-22-12-18(24(35)29-14-17-5-4-9-28-25(17)36-19-6-2-3-7-19)11-20(21(22)15-30-33)16-8-10-34-23(13-16)31-26(27)32-34;1-32-21-10-18(23(34)28-12-17-3-2-7-27-24(17)35-14-15-4-5-15)9-19(20(21)13-29-32)16-6-8-33-22(11-16)30-25(26)31-33;1-13(16-4-2-3-5-20(16)33-24(25,26)27)31-9-8-18-17(22(31)32)10-15(12-29-18)14-6-7-19-21(11-14)34-23(28)30-19;24-17-3-2-15(33-23(25,26)27)7-14(17)11-31-6-5-18-16(21(31)32)8-13(10-29-18)12-1-4-19-20(9-12)34-22(28)30-19/h3-6,9-15H,7-8H2,1-2H3,(H,32,36)(H,33,34,35);4-5,8-13,15,19H,2-3,6-7,14H2,1H3,(H2,27,32)(H,29,35);2-3,6-11,13,15H,4-5,12,14H2,1H3,(H2,26,31)(H,28,34);2-7,10-13H,8-9H2,1H3,(H2,28,30);1-4,7-10H,5-6,11H2,(H2,28,30)
• InChIKey: ZNVZWOQSZDGEAD-UHFFFAOYSA-N
• XLogP: 23.37
• TPSA: 515.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2480.60
LogP ≤ 5	23.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The IUPAC name of 3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (CID 165108476) is 3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The canonical SMILES for 3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is CC(c1ccccc1OC(F)(F)F)N1CCc2ncc(-c3ccc4nc(N)sc4c3)cc2C1=O.COc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1C(=O)NC(C)c1ccccc1OC(F)(F)F.Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cccnc3OC3CCCC3)cc21.Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cccnc3OCC3CC3)cc21.Nc1nc2ccc(-c3cnc4c(c3)C(=O)N(Cc3cc(OC(F)(F)F)ccc3F)CC4)cc2s1.

What is the InChIKey of 3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The InChIKey is ZNVZWOQSZDGEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O4S.C26H26N8O2.C25H24N8O2.C24H19F3N4O2S.C23H16F4N4O2S/c1-14(18-5-3-4-6-21(18)38-27(28,29)30)32-24(36)19-11-17(13-31-25(19)37-2)16-9-10-20-22(12-16)39-26(33-20)34-23(35)15-7-8-15;1-33-22-12-18(24(35)29-14-17-5-4-9-28-25(17)36-19-6-2-3-7-19)11-20(21(22)15-30-33)16-8-10-34-23(13-16)31-26(27)32-34;1-32-21-10-18(23(34)28-12-17-3-2-7-27-24(17)35-14-15-4-5-15)9-19(20(21)13-29-32)16-6-8-33-22(11-16)30-25(26)31-33;1-13(16-4-2-3-5-20(16)33-24(25,26)27)31-9-8-18-17(22(31)32)10-15(12-29-18)14-6-7-19-21(11-14)34-23(28)30-19;24-17-3-2-15(33-23(25,26)27)7-14(17)11-31-6-5-18-16(21(31)32)8-13(10-29-18)12-1-4-19-20(9-12)34-22(28)30-19/h3-6,9-15H,7-8H2,1-2H3,(H,32,36)(H,33,34,35);4-5,8-13,15,19H,2-3,6-7,14H2,1H3,(H2,27,32)(H,29,35);2-3,6-11,13,15H,4-5,12,14H2,1H3,(H2,26,31)(H,28,34);2-7,10-13H,8-9H2,1H3,(H2,28,30);1-4,7-10H,5-6,11H2,(H2,28,30).

What are the key properties of 3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 2480.60 g/mol, XLogP of 23.37, 29 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-amino-1,3-benzothiazol-6-yl)-6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one;3-(2-amino-1,3-benzothiazol-6-yl)-6-[1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 165108476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).