N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid

C81H88ClF7N10O9 — CID 160615981

About N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid

N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid (PubChem CID 160615981) has the molecular formula C81H88ClF7N10O9 and a molecular weight of 1514.09 g/mol. Its IUPAC name is N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

• Compound Name: N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid
• PubChem CID: 160615981
• Molecular Formula: C81H88ClF7N10O9
• Molecular Weight: 1514.09 g/mol
• Exact Mass: 1512.63
• IUPAC Name: N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid
• SMILES: CCC(C)(N)CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12.CC[C@](C)(N)CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12.O=C(O)CCCCN(CCc1ccccc1OCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1Cl)C1CCCc2nc(C(=O)O)ccc21
• InChI: InChI=1S/C37H36ClF3N2O5.2C22H26F2N4O2/c38-30-22-26(24-13-15-28(16-14-24)37(39,40)41)11-12-27(30)23-48-34-9-2-1-6-25(34)19-21-43(20-4-3-10-35(44)45)33-8-5-7-31-29(33)17-18-32(42-31)36(46)47;2*1-5-22(4,25)12-26-21(29)19-14(3)27-20-18(9-13(2)10-28(19)20)30-11-15-16(23)7-6-8-17(15)24/h1-2,6,9,11-18,22,33H,3-5,7-8,10,19-21,23H2,(H,44,45)(H,46,47);2*6-10H,5,11-12,25H2,1-4H3,(H,26,29)/t;22-;/m.0./s1
• InChIKey: RGCCFTRFFSEDNQ-UPVGPBOESA-N
• XLogP: 16.21
• TPSA: 263.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 28
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1514.09
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid?

The IUPAC name of N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid (CID 160615981) is N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid.

What is the SMILES notation for N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid?

The canonical SMILES for N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid is CCC(C)(N)CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12.CC[C@](C)(N)CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12.O=C(O)CCCCN(CCc1ccccc1OCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1Cl)C1CCCc2nc(C(=O)O)ccc21.

What is the InChIKey of N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid?

The InChIKey is RGCCFTRFFSEDNQ-UPVGPBOESA-N. The full InChI is InChI=1S/C37H36ClF3N2O5.2C22H26F2N4O2/c38-30-22-26(24-13-15-28(16-14-24)37(39,40)41)11-12-27(30)23-48-34-9-2-1-6-25(34)19-21-43(20-4-3-10-35(44)45)33-8-5-7-31-29(33)17-18-32(42-31)36(46)47;2*1-5-22(4,25)12-26-21(29)19-14(3)27-20-18(9-13(2)10-28(19)20)30-11-15-16(23)7-6-8-17(15)24/h1-2,6,9,11-18,22,33H,3-5,7-8,10,19-21,23H2,(H,44,45)(H,46,47);2*6-10H,5,11-12,25H2,1-4H3,(H,26,29)/t;22-;/m.0./s1.

What are the key properties of N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid?

N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 1514.09 g/mol, XLogP of 16.21, 28 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;5-[4-carboxybutyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 160615981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).