N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide

C80H59ClF12N16O6 — CID 160667727

About N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 160667727) has the molecular formula C80H59ClF12N16O6 and a molecular weight of 1603.89 g/mol. Its IUPAC name is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
• PubChem CID: 160667727
• Molecular Formula: C80H59ClF12N16O6
• Molecular Weight: 1603.89 g/mol
• Exact Mass: 1602.43
• IUPAC Name: N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
• SMILES: CCC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.Cc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.O=C(Nc1nn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccoc1
• InChI: InChI=1S/C23H18F3N3O.C20H13F3N6O2.C20H14F3N3O2.C17H14ClF3N4O/c1-15-6-2-3-7-18(15)22(30)27-21-19-8-4-5-9-20(19)29(28-21)14-16-10-12-17(13-11-16)23(24,25)26;1-11-15(10-31-28-11)19(30)26-18-14-6-12(7-24)2-4-16(14)29(27-18)9-13-3-5-17(25-8-13)20(21,22)23;21-20(22,23)15-5-3-4-13(10-15)11-26-17-7-2-1-6-16(17)18(25-26)24-19(27)14-8-9-28-12-14;1-2-14(26)23-16-15-12(18)7-22-8-13(15)25(24-16)9-10-3-5-11(6-4-10)17(19,20)21/h2-13H,14H2,1H3,(H,27,28,30);2-6,8,10H,9H2,1H3,(H,26,27,30);1-10,12H,11H2,(H,24,25,27);3-8H,2,9H2,1H3,(H,23,24,26)
• InChIKey: RMNKITQSQKXWRX-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 276.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1603.89
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?

The IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (CID 160667727) is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.

What is the SMILES notation for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?

The canonical SMILES for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is CCC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.Cc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.O=C(Nc1nn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccoc1.

What is the InChIKey of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?

The InChIKey is RMNKITQSQKXWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O.C20H13F3N6O2.C20H14F3N3O2.C17H14ClF3N4O/c1-15-6-2-3-7-18(15)22(30)27-21-19-8-4-5-9-20(19)29(28-21)14-16-10-12-17(13-11-16)23(24,25)26;1-11-15(10-31-28-11)19(30)26-18-14-6-12(7-24)2-4-16(14)29(27-18)9-13-3-5-17(25-8-13)20(21,22)23;21-20(22,23)15-5-3-4-13(10-15)11-26-17-7-2-1-6-16(17)18(25-26)24-19(27)14-8-9-28-12-14;1-2-14(26)23-16-15-12(18)7-22-8-13(15)25(24-16)9-10-3-5-11(6-4-10)17(19,20)21/h2-13H,14H2,1H3,(H,27,28,30);2-6,8,10H,9H2,1H3,(H,26,27,30);1-10,12H,11H2,(H,24,25,27);3-8H,2,9H2,1H3,(H,23,24,26).

What are the key properties of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 1603.89 g/mol, XLogP of 19.03, 16 rotatable bonds, 4 hydrogen bond donors, and 18 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]propanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 160667727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).