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

C24H20N6O2 — CID 72737416

IUPAC4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide
SMILESCc1nn(C)cc1-c1nc2nccc(Oc3ccc(C(=O)Nc4ccccc4)cc3)c2[nH]1
InChIInChI=1S/C24H20N6O2/c1-15-19(14-30(2)29-15)22-27-21-20(12-13-25-23(21)28-22)32-18-10-8-16(9-11-18)24(31)26-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,31)(H,25,27,28)
InChIKeyGHUCLWIVBWSXOR-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.71
Rot. Bonds5

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

4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide (PubChem CID 72737416) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide
PubChem CID72737416
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide
SMILESCc1nn(C)cc1-c1nc2nccc(Oc3ccc(C(=O)Nc4ccccc4)cc3)c2[nH]1
InChIInChI=1S/C24H20N6O2/c1-15-19(14-30(2)29-15)22-27-21-20(12-13-25-23(21)28-22)32-18-10-8-16(9-11-18)24(31)26-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,31)(H,25,27,28)
InChIKeyGHUCLWIVBWSXOR-UHFFFAOYSA-N
XLogP4.71
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide?
The IUPAC name of 4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide (CID 72737416) is 4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide?
The canonical SMILES for 4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide is Cc1nn(C)cc1-c1nc2nccc(Oc3ccc(C(=O)Nc4ccccc4)cc3)c2[nH]1.
What is the InChIKey of 4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide?
The InChIKey is GHUCLWIVBWSXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-15-19(14-30(2)29-15)22-27-21-20(12-13-25-23(21)28-22)32-18-10-8-16(9-11-18)24(31)26-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,31)(H,25,27,28).
What are the key properties of 4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide?
4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide has a molecular weight of 424.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-phenylbenzamide is sourced from PubChem (CID 72737416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).