7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

C21H16Cl2N4O2 — CID 122457956

IUPAC7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOc1ccc(Cn2cnc3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)cc1
InChIInChI=1S/C21H16Cl2N4O2/c1-29-16-8-2-13(3-9-16)11-27-12-25-19-18(23)17(10-24-20(19)27)21(28)26-15-6-4-14(22)5-7-15/h2-10,12H,11H2,1H3,(H,26,28)
InChIKeyRZCKVNXRKFZYDS-UHFFFAOYSA-N
MW427.29 g/mol
LogP5.05
Rot. Bonds5

About 7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 122457956) has the molecular formula C21H16Cl2N4O2 and a molecular weight of 427.29 g/mol. Its IUPAC name is 7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID122457956
Molecular FormulaC21H16Cl2N4O2
Molecular Weight427.29 g/mol
Exact Mass426.07
IUPAC Name7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOc1ccc(Cn2cnc3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)cc1
InChIInChI=1S/C21H16Cl2N4O2/c1-29-16-8-2-13(3-9-16)11-27-12-25-19-18(23)17(10-24-20(19)27)21(28)26-15-6-4-14(22)5-7-15/h2-10,12H,11H2,1H3,(H,26,28)
InChIKeyRZCKVNXRKFZYDS-UHFFFAOYSA-N
XLogP5.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 122457956) is 7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is COc1ccc(Cn2cnc3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)cc1.
What is the InChIKey of 7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is RZCKVNXRKFZYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O2/c1-29-16-8-2-13(3-9-16)11-27-12-25-19-18(23)17(10-24-20(19)27)21(28)26-15-6-4-14(22)5-7-15/h2-10,12H,11H2,1H3,(H,26,28).
What are the key properties of 7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 427.29 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 122457956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).