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

C78H77Cl3F8N10O12 — CID 160945193

IUPACbenzyl 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
SMILESCC(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
InChIInChI=1S/C30H30ClF3N4O4.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;1-3-25-18(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);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)
InChIKeySVACTFCLSSWBCS-UHFFFAOYSA-N
MW1604.87 g/mol
LogP16.88
Rot. Bonds28

About 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

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 160945193) has the molecular formula C78H77Cl3F8N10O12 and a molecular weight of 1604.87 g/mol. Its IUPAC name is 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 Namebenzyl 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 CID160945193
Molecular FormulaC78H77Cl3F8N10O12
Molecular Weight1604.87 g/mol
Exact Mass1602.47
IUPAC Namebenzyl 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
SMILESCC(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
InChIInChI=1S/C30H30ClF3N4O4.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;1-3-25-18(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);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)
InChIKeySVACTFCLSSWBCS-UHFFFAOYSA-N
XLogP16.88
TPSA274.97 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001604.87
LogP ≤ 516.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

6-Chloro-8-[(2,6-difluorobenzyl)oxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115360
N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118321118
Methyl 2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6,6,6-trifluorohexanoate
CID 74222608
tert-butyl N-[4-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate;2,2,2-trifluoroacetic acid
CID 86717905
tert-butyl N-[4-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate
CID 86717906
Benzyl {(2S)-3-[({6-chloro-8-[(2,6-difluorobenzyl)oxy]-2-methylimidazo[1,2-a]pyridin-3-yl}-carbonyl)amino]butan-2-yl}carbamate
CID 86717911
tert-Butyl (2S)-2-{[({8-[(2,6-difluorobenzyl)oxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl}-carbonyl)amino]methyl}pyrrolidin-1-carboxylate trifluoroacetate
CID 86717912
tert-Butyl (2R)-2-{[({8-[(2,6-difluorobenzyl)oxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl}-carbonyl)amino]methyl}pyrrolidin-1-carboxylate trifluoroacetate
CID 86717914
benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate
CID 86717956
N-(2-Amino-2-methylpropyl)-6-chloro-8-[(2,6-difluorobenzyl)oxy]-2-methylimidazo[1,2-a]-pyridine-3-carboxamide
CID 86717962
tert-butyl (2R)-2-{[({8-[(2,6-difluorobenzyl)oxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl}carbonyl)amino]methyl}piperidin-1-carboxylate trifluoroacetate
CID 86717982
N-(2-amino-3-methylbutyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86717984

Frequently Asked Questions

What is the IUPAC name of 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 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 160945193) is 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 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 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.
What is the InChIKey of 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 SVACTFCLSSWBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClF3N4O4.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;1-3-25-18(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);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 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?
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 1604.87 g/mol, XLogP of 16.88, 28 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 160945193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).