N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide

C78H55ClF10N18O5S3 — CID 161209347

About N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 161209347) has the molecular formula C78H55ClF10N18O5S3 and a molecular weight of 1646.05 g/mol. Its IUPAC name is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
• PubChem CID: 161209347
• Molecular Formula: C78H55ClF10N18O5S3
• Molecular Weight: 1646.05 g/mol
• Exact Mass: 1644.33
• IUPAC Name: N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
• SMILES: Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12.Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cnccc12)c1sccc1F
• InChI: InChI=1S/C20H15F3N4O2.C20H15N5OS.C19H13ClF3N5OS.C19H12F4N4OS/c1-12-16(11-29-26-12)19(28)24-18-15-4-2-3-5-17(15)27(25-18)10-13-6-8-14(9-7-13)20(21,22)23;1-13-18(27-12-22-13)20(26)23-19-16-4-2-3-5-17(16)25(24-19)11-15-8-6-14(10-21)7-9-15;1-10-16(30-9-25-10)18(29)26-17-15-13(20)6-24-7-14(15)28(27-17)8-11-2-4-12(5-3-11)19(21,22)23;20-14-6-8-29-16(14)18(28)25-17-13-5-7-24-9-15(13)27(26-17)10-11-1-3-12(4-2-11)19(21,22)23/h2-9,11H,10H2,1H3,(H,24,25,28);2-9,12H,11H2,1H3,(H,23,24,26);2-7,9H,8H2,1H3,(H,26,27,29);1-9H,10H2,(H,25,26,28)
• InChIKey: UWAIXOZXFYVXKD-UHFFFAOYSA-N
• XLogP: 18.75
• TPSA: 289.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1646.05
LogP ≤ 5	18.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide (CID 161209347) is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide is Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12.Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cnccc12)c1sccc1F.

What is the InChIKey of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?

The InChIKey is UWAIXOZXFYVXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2.C20H15N5OS.C19H13ClF3N5OS.C19H12F4N4OS/c1-12-16(11-29-26-12)19(28)24-18-15-4-2-3-5-17(15)27(25-18)10-13-6-8-14(9-7-13)20(21,22)23;1-13-18(27-12-22-13)20(26)23-19-16-4-2-3-5-17(16)25(24-19)11-15-8-6-14(10-21)7-9-15;1-10-16(30-9-25-10)18(29)26-17-15-13(20)6-24-7-14(15)28(27-17)8-11-2-4-12(5-3-11)19(21,22)23;20-14-6-8-29-16(14)18(28)25-17-13-5-7-24-9-15(13)27(26-17)10-11-1-3-12(4-2-11)19(21,22)23/h2-9,11H,10H2,1H3,(H,24,25,28);2-9,12H,11H2,1H3,(H,23,24,26);2-7,9H,8H2,1H3,(H,26,27,29);1-9H,10H2,(H,25,26,28).

What are the key properties of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 1646.05 g/mol, XLogP of 18.75, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 161209347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).