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

C23H18ClN7O2 — CID 72735064

IUPAC4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-pyridin-3-ylbenzamide
SMILESCc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)Nc4cccnc4)cc3)c2[nH]1
InChIInChI=1S/C23H18ClN7O2/c1-13-17(12-31(2)30-13)21-28-19-20(18(24)11-26-22(19)29-21)33-16-7-5-14(6-8-16)23(32)27-15-4-3-9-25-10-15/h3-12H,1-2H3,(H,27,32)(H,26,28,29)
InChIKeyQRBCCMOBWXTBEW-UHFFFAOYSA-N
MW459.90 g/mol
LogP4.76
Rot. Bonds5

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

4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-pyridin-3-ylbenzamide (PubChem CID 72735064) has the molecular formula C23H18ClN7O2 and a molecular weight of 459.90 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-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-pyridin-3-ylbenzamide
PubChem CID72735064
Molecular FormulaC23H18ClN7O2
Molecular Weight459.90 g/mol
Exact Mass459.12
IUPAC Name4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-pyridin-3-ylbenzamide
SMILESCc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)Nc4cccnc4)cc3)c2[nH]1
InChIInChI=1S/C23H18ClN7O2/c1-13-17(12-31(2)30-13)21-28-19-20(18(24)11-26-22(19)29-21)33-16-7-5-14(6-8-16)23(32)27-15-4-3-9-25-10-15/h3-12H,1-2H3,(H,27,32)(H,26,28,29)
InChIKeyQRBCCMOBWXTBEW-UHFFFAOYSA-N
XLogP4.76
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.90
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-pyridin-3-ylbenzamide?
The IUPAC name of 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-pyridin-3-ylbenzamide (CID 72735064) is 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-pyridin-3-ylbenzamide.
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-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-pyridin-3-ylbenzamide is Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)Nc4cccnc4)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-pyridin-3-ylbenzamide?
The InChIKey is QRBCCMOBWXTBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O2/c1-13-17(12-31(2)30-13)21-28-19-20(18(24)11-26-22(19)29-21)33-16-7-5-14(6-8-16)23(32)27-15-4-3-9-25-10-15/h3-12H,1-2H3,(H,27,32)(H,26,28,29).
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-pyridin-3-ylbenzamide?
4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-pyridin-3-ylbenzamide has a molecular weight of 459.90 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyridin-3-ylbenzamide is sourced from PubChem (CID 72735064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).