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

C22H21ClN6O2 — CID 72735248

IUPAC4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-cyclobutylbenzamide
SMILESCc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)NC4CCC4)cc3)c2[nH]1
InChIInChI=1S/C22H21ClN6O2/c1-12-16(11-29(2)28-12)20-26-18-19(17(23)10-24-21(18)27-20)31-15-8-6-13(7-9-15)22(30)25-14-4-3-5-14/h6-11,14H,3-5H2,1-2H3,(H,25,30)(H,24,26,27)
InChIKeyWHIMJTFHOFINSI-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.39
Rot. Bonds5

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

4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-cyclobutylbenzamide (PubChem CID 72735248) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 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-cyclobutylbenzamide.

Molecular Properties

Compound Name4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-cyclobutylbenzamide
PubChem CID72735248
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC Name4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-cyclobutylbenzamide
SMILESCc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)NC4CCC4)cc3)c2[nH]1
InChIInChI=1S/C22H21ClN6O2/c1-12-16(11-29(2)28-12)20-26-18-19(17(23)10-24-21(18)27-20)31-15-8-6-13(7-9-15)22(30)25-14-4-3-5-14/h6-11,14H,3-5H2,1-2H3,(H,25,30)(H,24,26,27)
InChIKeyWHIMJTFHOFINSI-UHFFFAOYSA-N
XLogP4.39
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-cyclobutylbenzamide?
The IUPAC name of 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-cyclobutylbenzamide (CID 72735248) is 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-cyclobutylbenzamide.
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-cyclobutylbenzamide?
The canonical SMILES for 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-cyclobutylbenzamide is Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)NC4CCC4)cc3)c2[nH]1.
What is the InChIKey of 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-cyclobutylbenzamide?
The InChIKey is WHIMJTFHOFINSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c1-12-16(11-29(2)28-12)20-26-18-19(17(23)10-24-21(18)27-20)31-15-8-6-13(7-9-15)22(30)25-14-4-3-5-14/h6-11,14H,3-5H2,1-2H3,(H,25,30)(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-cyclobutylbenzamide?
4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-cyclobutylbenzamide has a molecular weight of 436.90 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-cyclobutylbenzamide is sourced from PubChem (CID 72735248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).