7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid

C46H38Cl3N5O4 — CID 118053971

IUPAC7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCc1nc2c(Cc3ccc(-c4ccccc4)cc3)cc(Cl)cn2c1C(=O)O.CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19Cl2N3O2.C23H19ClN2O2/c1-2-20-22(28-12-11-17(25)13-21(28)27-20)23(29)26-14-15-3-7-18(8-4-15)30-19-9-5-16(24)6-10-19;1-2-20-21(23(27)28)26-14-19(24)13-18(22(26)25-20)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,26,29);3-11,13-14H,2,12H2,1H3,(H,27,28)
InChIKeyRXIZUQLLGNAAJC-UHFFFAOYSA-N
MW831.20 g/mol
LogP11.43
Rot. Bonds11

About 7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid

7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 118053971) has the molecular formula C46H38Cl3N5O4 and a molecular weight of 831.20 g/mol. Its IUPAC name is 7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID118053971
Molecular FormulaC46H38Cl3N5O4
Molecular Weight831.20 g/mol
Exact Mass829.20
IUPAC Name7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCc1nc2c(Cc3ccc(-c4ccccc4)cc3)cc(Cl)cn2c1C(=O)O.CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19Cl2N3O2.C23H19ClN2O2/c1-2-20-22(28-12-11-17(25)13-21(28)27-20)23(29)26-14-15-3-7-18(8-4-15)30-19-9-5-16(24)6-10-19;1-2-20-21(23(27)28)26-14-19(24)13-18(22(26)25-20)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,26,29);3-11,13-14H,2,12H2,1H3,(H,27,28)
InChIKeyRXIZUQLLGNAAJC-UHFFFAOYSA-N
XLogP11.43
TPSA110.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.20
LogP ≤ 511.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 118053971) is 7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid is CCc1nc2c(Cc3ccc(-c4ccccc4)cc3)cc(Cl)cn2c1C(=O)O.CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is RXIZUQLLGNAAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2.C23H19ClN2O2/c1-2-20-22(28-12-11-17(25)13-21(28)27-20)23(29)26-14-15-3-7-18(8-4-15)30-19-9-5-16(24)6-10-19;1-2-20-21(23(27)28)26-14-19(24)13-18(22(26)25-20)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,26,29);3-11,13-14H,2,12H2,1H3,(H,27,28).
What are the key properties of 7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 831.20 g/mol, XLogP of 11.43, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-8-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 118053971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).