N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate

C100H102Cl3F11N14O14 — CID 162241881

About N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate

N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 162241881) has the molecular formula C100H102Cl3F11N14O14 and a molecular weight of 2039.34 g/mol. Its IUPAC name is N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate
• PubChem CID: 162241881
• Molecular Formula: C100H102Cl3F11N14O14
• Molecular Weight: 2039.34 g/mol
• Exact Mass: 2036.66
• IUPAC Name: N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate
• SMILES: CC(CN)(CCCF)NC(=O)OCc1ccccc1.CCOC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(Cl)cn12.Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC(C)(CCCF)NC(=O)OCc1ccccc1.Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)O.Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NCC(C)(N)CCCF
• InChI: InChI=1S/C30H30ClF3N4O4.C22H25F3N4O2.C18H15ClF2N2O3.C16H11ClF2N2O3.C14H21FN2O2/c1-19-26(38-15-21(31)14-25(27(38)36-19)41-17-22-23(33)10-6-11-24(22)34)28(39)35-18-30(2,12-7-13-32)37-29(40)42-16-20-8-4-3-5-9-20;1-14-19(21(30)27-13-22(2,26)9-5-10-23)29-11-4-8-18(20(29)28-14)31-12-15-16(24)6-3-7-17(15)25;1-3-25-18(24)16-10(2)22-17-15(7-11(19)8-23(16)17)26-9-12-13(20)5-4-6-14(12)21;1-8-14(16(22)23)21-6-9(17)5-13(15(21)20-8)24-7-10-11(18)3-2-4-12(10)19;1-14(11-16,8-5-9-15)17-13(18)19-10-12-6-3-2-4-7-12/h3-6,8-11,14-15H,7,12-13,16-18H2,1-2H3,(H,35,39)(H,37,40);3-4,6-8,11H,5,9-10,12-13,26H2,1-2H3,(H,27,30);4-8H,3,9H2,1-2H3;2-6H,7H2,1H3,(H,22,23);2-4,6-7H,5,8-11,16H2,1H3,(H,17,18)
• InChIKey: ZWUSWHVTDBOVSP-UHFFFAOYSA-N
• XLogP: 20.58
• TPSA: 356.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 37
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2039.34
LogP ≤ 5	20.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate?

The IUPAC name of N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 162241881) is N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate.

What is the SMILES notation for N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate?

The canonical SMILES for N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate is CC(CN)(CCCF)NC(=O)OCc1ccccc1.CCOC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(Cl)cn12.Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC(C)(CCCF)NC(=O)OCc1ccccc1.Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)O.Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NCC(C)(N)CCCF.

What is the InChIKey of N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate?

The InChIKey is ZWUSWHVTDBOVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClF3N4O4.C22H25F3N4O2.C18H15ClF2N2O3.C16H11ClF2N2O3.C14H21FN2O2/c1-19-26(38-15-21(31)14-25(27(38)36-19)41-17-22-23(33)10-6-11-24(22)34)28(39)35-18-30(2,12-7-13-32)37-29(40)42-16-20-8-4-3-5-9-20;1-14-19(21(30)27-13-22(2,26)9-5-10-23)29-11-4-8-18(20(29)28-14)31-12-15-16(24)6-3-7-17(15)25;1-3-25-18(24)16-10(2)22-17-15(7-11(19)8-23(16)17)26-9-12-13(20)5-4-6-14(12)21;1-8-14(16(22)23)21-6-9(17)5-13(15(21)20-8)24-7-10-11(18)3-2-4-12(10)19;1-14(11-16,8-5-9-15)17-13(18)19-10-12-6-3-2-4-7-12/h3-6,8-11,14-15H,7,12-13,16-18H2,1-2H3,(H,35,39)(H,37,40);3-4,6-8,11H,5,9-10,12-13,26H2,1-2H3,(H,27,30);4-8H,3,9H2,1-2H3;2-6H,7H2,1H3,(H,22,23);2-4,6-7H,5,8-11,16H2,1H3,(H,17,18).

What are the key properties of N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate?

N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 2039.34 g/mol, XLogP of 20.58, 37 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-5-fluoro-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-(1-amino-5-fluoro-2-methylpentan-2-yl)carbamate;benzyl N-[1-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-fluoro-2-methylpentan-2-yl]carbamate;6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 162241881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).