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

C25H21ClN6O2 — CID 72735065

IUPACN-benzyl-4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzamide
SMILESCc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)NCc4ccccc4)cc3)c2[nH]1
InChIInChI=1S/C25H21ClN6O2/c1-15-19(14-32(2)31-15)23-29-21-22(20(26)13-27-24(21)30-23)34-18-10-8-17(9-11-18)25(33)28-12-16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,28,33)(H,27,29,30)
InChIKeyOUNGNTVUXRGCOK-UHFFFAOYSA-N
MW472.94 g/mol
LogP5.04
Rot. Bonds6

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

N-benzyl-4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzamide (PubChem CID 72735065) has the molecular formula C25H21ClN6O2 and a molecular weight of 472.94 g/mol. Its IUPAC name is N-benzyl-4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzamide
PubChem CID72735065
Molecular FormulaC25H21ClN6O2
Molecular Weight472.94 g/mol
Exact Mass472.14
IUPAC NameN-benzyl-4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzamide
SMILESCc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)NCc4ccccc4)cc3)c2[nH]1
InChIInChI=1S/C25H21ClN6O2/c1-15-19(14-32(2)31-15)23-29-21-22(20(26)13-27-24(21)30-23)34-18-10-8-17(9-11-18)25(33)28-12-16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,28,33)(H,27,29,30)
InChIKeyOUNGNTVUXRGCOK-UHFFFAOYSA-N
XLogP5.04
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.94
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzamide?
The IUPAC name of N-benzyl-4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzamide (CID 72735065) is N-benzyl-4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzamide.
What is the SMILES notation for N-benzyl-4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzamide?
The canonical SMILES for N-benzyl-4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzamide is Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)NCc4ccccc4)cc3)c2[nH]1.
What is the InChIKey of N-benzyl-4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzamide?
The InChIKey is OUNGNTVUXRGCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6O2/c1-15-19(14-32(2)31-15)23-29-21-22(20(26)13-27-24(21)30-23)34-18-10-8-17(9-11-18)25(33)28-12-16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,28,33)(H,27,29,30).
What are the key properties of N-benzyl-4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzamide?
N-benzyl-4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzamide has a molecular weight of 472.94 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzamide is sourced from PubChem (CID 72735065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).