7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide

C24H23ClN4O2 — CID 122457939

IUPAC7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOc1ccc(Cn2cnc3c(Cl)c(C(=O)Nc4ccc(C(C)C)cc4)cnc32)cc1
InChIInChI=1S/C24H23ClN4O2/c1-15(2)17-6-8-18(9-7-17)28-24(30)20-12-26-23-22(21(20)25)27-14-29(23)13-16-4-10-19(31-3)11-5-16/h4-12,14-15H,13H2,1-3H3,(H,28,30)
InChIKeyVHDSFRZDLOPERX-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.52
Rot. Bonds6

About 7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide

7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 122457939) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID122457939
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOc1ccc(Cn2cnc3c(Cl)c(C(=O)Nc4ccc(C(C)C)cc4)cnc32)cc1
InChIInChI=1S/C24H23ClN4O2/c1-15(2)17-6-8-18(9-7-17)28-24(30)20-12-26-23-22(21(20)25)27-14-29(23)13-16-4-10-19(31-3)11-5-16/h4-12,14-15H,13H2,1-3H3,(H,28,30)
InChIKeyVHDSFRZDLOPERX-UHFFFAOYSA-N
XLogP5.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 122457939) is 7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide is COc1ccc(Cn2cnc3c(Cl)c(C(=O)Nc4ccc(C(C)C)cc4)cnc32)cc1.
What is the InChIKey of 7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is VHDSFRZDLOPERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-15(2)17-6-8-18(9-7-17)28-24(30)20-12-26-23-22(21(20)25)27-14-29(23)13-16-4-10-19(31-3)11-5-16/h4-12,14-15H,13H2,1-3H3,(H,28,30).
What are the key properties of 7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide?
7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(4-methoxyphenyl)methyl]-N-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 122457939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).