4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide

C22H18ClN7O3 — CID 72735062

IUPAC4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Oc3c(Cl)cnc4nc(-c5cn(C)nc5C)[nH]c34)cc2)on1
InChIInChI=1S/C22H18ClN7O3/c1-11-8-17(33-29-11)25-22(31)13-4-6-14(7-5-13)32-19-16(23)9-24-21-18(19)26-20(27-21)15-10-30(3)28-12(15)2/h4-10H,1-3H3,(H,25,31)(H,24,26,27)
InChIKeyAFWWHBTVEBALQB-UHFFFAOYSA-N
MW463.89 g/mol
LogP4.66
Rot. Bonds5

About 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide

4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 72735062) has the molecular formula C22H18ClN7O3 and a molecular weight of 463.89 g/mol. Its IUPAC name is 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID72735062
Molecular FormulaC22H18ClN7O3
Molecular Weight463.89 g/mol
Exact Mass463.12
IUPAC Name4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Oc3c(Cl)cnc4nc(-c5cn(C)nc5C)[nH]c34)cc2)on1
InChIInChI=1S/C22H18ClN7O3/c1-11-8-17(33-29-11)25-22(31)13-4-6-14(7-5-13)32-19-16(23)9-24-21-18(19)26-20(27-21)15-10-30(3)28-12(15)2/h4-10H,1-3H3,(H,25,31)(H,24,26,27)
InChIKeyAFWWHBTVEBALQB-UHFFFAOYSA-N
XLogP4.66
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.89
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide (CID 72735062) is 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide is Cc1cc(NC(=O)c2ccc(Oc3c(Cl)cnc4nc(-c5cn(C)nc5C)[nH]c34)cc2)on1.
What is the InChIKey of 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is AFWWHBTVEBALQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN7O3/c1-11-8-17(33-29-11)25-22(31)13-4-6-14(7-5-13)32-19-16(23)9-24-21-18(19)26-20(27-21)15-10-30(3)28-12(15)2/h4-10H,1-3H3,(H,25,31)(H,24,26,27).
What are the key properties of 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 463.89 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-(3-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 72735062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).