tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C120H104F7N25O14 — CID 159726782

About tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 159726782) has the molecular formula C120H104F7N25O14 and a molecular weight of 2253.30 g/mol. Its IUPAC name is tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 159726782
• Molecular Formula: C120H104F7N25O14
• Molecular Weight: 2253.30 g/mol
• Exact Mass: 2251.81
• IUPAC Name: tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: COc1ccc2c(OCc3nnc4c(F)cc(-c5ccc(F)c(F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(F)c(C(F)(F)F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(N(C)C(=O)OC(C)(C)C)cc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)N[C@@H]5CCNC5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)N[C@H]5CCNC5)cn34)ccnc2c1
• InChI: InChI=1S/C29H29N5O4.C24H16F4N4O2.C23H15F3N4O2.2C22H22N6O3/c1-29(2,3)38-28(35)33(4)21-9-6-19(7-10-21)20-8-13-26-31-32-27(34(26)17-20)18-37-25-14-15-30-24-16-22(36-5)11-12-23(24)25;1-33-16-4-5-17-20(11-16)29-9-8-21(17)34-13-23-31-30-22-7-3-15(12-32(22)23)14-2-6-19(25)18(10-14)24(26,27)28;1-31-15-3-4-16-20(10-15)27-7-6-21(16)32-12-22-28-29-23-19(26)9-14(11-30(22)23)13-2-5-17(24)18(25)8-13;2*1-30-16-3-4-17-18(10-16)24-9-7-19(17)31-13-21-27-26-20-5-2-14(12-28(20)21)22(29)25-15-6-8-23-11-15/h6-17H,18H2,1-5H3;2-12H,13H2,1H3;2-11H,12H2,1H3;2*2-5,7,9-10,12,15,23H,6,8,11,13H2,1H3,(H,25,29)/t;;;2*15-/m...10/s1
• InChIKey: NASRUUXZAQFUCO-HLSXXQFHSA-N
• XLogP: 20.46
• TPSA: 419.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2253.30
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 159726782) is tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COc1ccc2c(OCc3nnc4c(F)cc(-c5ccc(F)c(F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(F)c(C(F)(F)F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(N(C)C(=O)OC(C)(C)C)cc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)N[C@@H]5CCNC5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)N[C@H]5CCNC5)cn34)ccnc2c1.

What is the InChIKey of tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is NASRUUXZAQFUCO-HLSXXQFHSA-N. The full InChI is InChI=1S/C29H29N5O4.C24H16F4N4O2.C23H15F3N4O2.2C22H22N6O3/c1-29(2,3)38-28(35)33(4)21-9-6-19(7-10-21)20-8-13-26-31-32-27(34(26)17-20)18-37-25-14-15-30-24-16-22(36-5)11-12-23(24)25;1-33-16-4-5-17-20(11-16)29-9-8-21(17)34-13-23-31-30-22-7-3-15(12-32(22)23)14-2-6-19(25)18(10-14)24(26,27)28;1-31-15-3-4-16-20(10-15)27-7-6-21(16)32-12-22-28-29-23-19(26)9-14(11-30(22)23)13-2-5-17(24)18(25)8-13;2*1-30-16-3-4-17-18(10-16)24-9-7-19(17)31-13-21-27-26-20-5-2-14(12-28(20)21)22(29)25-15-6-8-23-11-15/h6-17H,18H2,1-5H3;2-12H,13H2,1H3;2-11H,12H2,1H3;2*2-5,7,9-10,12,15,23H,6,8,11,13H2,1H3,(H,25,29)/t;;;2*15-/m...10/s1.

What are the key properties of tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 2253.30 g/mol, XLogP of 20.46, 28 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-N-methylcarbamate;4-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[(3S)-pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 159726782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).