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

C23H21ClN4O4S — CID 24993290

IUPACmethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1
InChIInChI=1S/C23H21ClN4O4S/c1-13(15-6-4-5-7-16(15)24)32-18-11-19(33-21(18)22(25)29)17-12-26-20-10-14(8-9-28(17)20)27(2)23(30)31-3/h4-13H,1-3H3,(H2,25,29)
InChIKeyLQHXVQHKCRJMBW-UHFFFAOYSA-N
MW484.97 g/mol
LogP5.16
Rot. Bonds6

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

methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate (PubChem CID 24993290) has the molecular formula C23H21ClN4O4S and a molecular weight of 484.97 g/mol. Its IUPAC name is methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate
PubChem CID24993290
Molecular FormulaC23H21ClN4O4S
Molecular Weight484.97 g/mol
Exact Mass484.10
IUPAC Namemethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1
InChIInChI=1S/C23H21ClN4O4S/c1-13(15-6-4-5-7-16(15)24)32-18-11-19(33-21(18)22(25)29)17-12-26-20-10-14(8-9-28(17)20)27(2)23(30)31-3/h4-13H,1-3H3,(H2,25,29)
InChIKeyLQHXVQHKCRJMBW-UHFFFAOYSA-N
XLogP5.16
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.97
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 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 methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate (CID 24993290) is methyl 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 methyl 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 methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate is COC(=O)N(C)c1ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1.
What is the InChIKey of methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate?
The InChIKey is LQHXVQHKCRJMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4S/c1-13(15-6-4-5-7-16(15)24)32-18-11-19(33-21(18)22(25)29)17-12-26-20-10-14(8-9-28(17)20)27(2)23(30)31-3/h4-13H,1-3H3,(H2,25,29).
What are the key properties of methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate?
methyl 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 484.97 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 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 24993290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).