ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate

C24H23ClN4O4S — CID 24993289

IUPACethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1
InChIInChI=1S/C24H23ClN4O4S/c1-4-32-24(31)28(3)15-9-10-29-18(13-27-21(29)11-15)20-12-19(22(34-20)23(26)30)33-14(2)16-7-5-6-8-17(16)25/h5-14H,4H2,1-3H3,(H2,26,30)
InChIKeyJBTPECGZLZZQCA-UHFFFAOYSA-N
MW498.99 g/mol
LogP5.55
Rot. Bonds7

About ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate

ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate (PubChem CID 24993289) has the molecular formula C24H23ClN4O4S and a molecular weight of 498.99 g/mol. Its IUPAC name is ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate
PubChem CID24993289
Molecular FormulaC24H23ClN4O4S
Molecular Weight498.99 g/mol
Exact Mass498.11
IUPAC Nameethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1
InChIInChI=1S/C24H23ClN4O4S/c1-4-32-24(31)28(3)15-9-10-29-18(13-27-21(29)11-15)20-12-19(22(34-20)23(26)30)33-14(2)16-7-5-6-8-17(16)25/h5-14H,4H2,1-3H3,(H2,26,30)
InChIKeyJBTPECGZLZZQCA-UHFFFAOYSA-N
XLogP5.55
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.99
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 25263118
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide
CID 16051023
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[3-(dimethylamino)propoxy]-1H-1,3-benzodiazol-1-yl}thiophene-2-carboxamide
CID 25263121
(R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)thiophene-2-carboxamide
CID 49862643
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(1-methylpiperidin-4-yl)methoxy]-1H-1,3-benzodiazol-1-yl}thiophene-2-carboxamide
CID 25263124
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-{[(4S)-1-methylazepan-4-yl]oxy}-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 25263125
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-{[(4R)-1-methylazepan-4-yl]oxy}-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 25263126
(R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(2-(1-methylpiperidin-4-ylamino)pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)thiophene-2-carboxamide
CID 46911119
(R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(2-(1-methylpiperidin-4-ylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-1-yl)thiophene-2-carboxamide
CID 49862095
(R)-3-(1-(2-chlorophenyl)ethoxy)-5-(6-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 11495629
(R)-3-(1-(4-((tert-butylamino)methyl)-2-(difluoromethoxy)phenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 11656480
(R)-3-(1-(2-chloro-4-(hydroxymethyl)phenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 11661872

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate?
The IUPAC name of ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate (CID 24993289) is ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate is CCOC(=O)N(C)c1ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1.
What is the InChIKey of ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate?
The InChIKey is JBTPECGZLZZQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4S/c1-4-32-24(31)28(3)15-9-10-29-18(13-27-21(29)11-15)20-12-19(22(34-20)23(26)30)33-14(2)16-7-5-6-8-17(16)25/h5-14H,4H2,1-3H3,(H2,26,30).
What are the key properties of ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate?
ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate has a molecular weight of 498.99 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 24993289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).