tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide

C59H62F2N8O10 — CID 161024571

IUPACtert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
SMILESCOCCN(C(=O)OC(C)(C)C)c1cc(Oc2cc(F)ccc2O)cn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12.COCCNc1cc(Oc2cc(F)ccc2O)cn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12
InChIInChI=1S/C32H35FN4O6.C27H27FN4O4/c1-19-14-20(6-10-24(19)30(39)35-22-8-9-22)26-17-34-29-25(36(12-13-41-5)31(40)43-32(2,3)4)16-23(18-37(26)29)42-28-15-21(33)7-11-27(28)38;1-16-11-17(3-7-21(16)27(34)31-19-5-6-19)23-14-30-26-22(29-9-10-35-2)13-20(15-32(23)26)36-25-12-18(28)4-8-24(25)33/h6-7,10-11,14-18,22,38H,8-9,12-13H2,1-5H3,(H,35,39);3-4,7-8,11-15,19,29,33H,5-6,9-10H2,1-2H3,(H,31,34)
InChIKeyTYUUGKARXIVNKG-UHFFFAOYSA-N
MW1081.19 g/mol
LogP11.12
Rot. Bonds18

About tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide

tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (PubChem CID 161024571) has the molecular formula C59H62F2N8O10 and a molecular weight of 1081.19 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound Nametert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
PubChem CID161024571
Molecular FormulaC59H62F2N8O10
Molecular Weight1081.19 g/mol
Exact Mass1080.46
IUPAC Nametert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
SMILESCOCCN(C(=O)OC(C)(C)C)c1cc(Oc2cc(F)ccc2O)cn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12.COCCNc1cc(Oc2cc(F)ccc2O)cn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12
InChIInChI=1S/C32H35FN4O6.C27H27FN4O4/c1-19-14-20(6-10-24(19)30(39)35-22-8-9-22)26-17-34-29-25(36(12-13-41-5)31(40)43-32(2,3)4)16-23(18-37(26)29)42-28-15-21(33)7-11-27(28)38;1-16-11-17(3-7-21(16)27(34)31-19-5-6-19)23-14-30-26-22(29-9-10-35-2)13-20(15-32(23)26)36-25-12-18(28)4-8-24(25)33/h6-7,10-11,14-18,22,38H,8-9,12-13H2,1-5H3,(H,35,39);3-4,7-8,11-15,19,29,33H,5-6,9-10H2,1-2H3,(H,31,34)
InChIKeyTYUUGKARXIVNKG-UHFFFAOYSA-N
XLogP11.12
TPSA211.75 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001081.19
LogP ≤ 511.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide with MolForge

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Related Compounds

[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid
CID 70818165
N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
CID 118102453
tert-butyl N-[3-(4-carbamoyl-3-methylphenyl)-6-(5-fluoro-2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2,2-difluoroethyl)carbamate
CID 163539221
N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
CID 161088628
4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
CID 162150760
4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid;methyl 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate
CID 160810981
2-cyclobutyl-1-[4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]ethanone;4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
CID 159179480
4-(8-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-methylbenzamide;4-[6-bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 159768311
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66691900
4-[6-(2-methoxyphenyl)-8-[(2-methylpropan-2-yl)oxycarbonyl-(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid;methyl 4-[6-(2-methoxyphenyl)-8-[(2-methylpropan-2-yl)oxycarbonyl-(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate
CID 158871602
[6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid
CID 88995651
N-cyclopropyl-4-[6-(3-hydroxy-2-methylanilino)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-(3-methoxy-2-methylanilino)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 158432395

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The IUPAC name of tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (CID 161024571) is tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.
What is the SMILES notation for tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The canonical SMILES for tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is COCCN(C(=O)OC(C)(C)C)c1cc(Oc2cc(F)ccc2O)cn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12.COCCNc1cc(Oc2cc(F)ccc2O)cn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12.
What is the InChIKey of tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The InChIKey is TYUUGKARXIVNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN4O6.C27H27FN4O4/c1-19-14-20(6-10-24(19)30(39)35-22-8-9-22)26-17-34-29-25(36(12-13-41-5)31(40)43-32(2,3)4)16-23(18-37(26)29)42-28-15-21(33)7-11-27(28)38;1-16-11-17(3-7-21(16)27(34)31-19-5-6-19)23-14-30-26-22(29-9-10-35-2)13-20(15-32(23)26)36-25-12-18(28)4-8-24(25)33/h6-7,10-11,14-18,22,38H,8-9,12-13H2,1-5H3,(H,35,39);3-4,7-8,11-15,19,29,33H,5-6,9-10H2,1-2H3,(H,31,34).
What are the key properties of tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide has a molecular weight of 1081.19 g/mol, XLogP of 11.12, 18 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 161024571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).