3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide

C26H26ClN3O3 — CID 16559415

IUPAC3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)Nc2c(-c3ccccc3)nc3ccc(C)cn23)cc(Cl)c1OCC(C)C
InChIInChI=1S/C26H26ClN3O3/c1-16(2)15-33-24-20(27)12-19(13-21(24)32-4)26(31)29-25-23(18-8-6-5-7-9-18)28-22-11-10-17(3)14-30(22)25/h5-14,16H,15H2,1-4H3,(H,29,31)
InChIKeyWPTPANHXGMOPIN-UHFFFAOYSA-N
MW463.97 g/mol
LogP6.26
Rot. Bonds7

About 3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide

3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide (PubChem CID 16559415) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide
PubChem CID16559415
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC Name3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)Nc2c(-c3ccccc3)nc3ccc(C)cn23)cc(Cl)c1OCC(C)C
InChIInChI=1S/C26H26ClN3O3/c1-16(2)15-33-24-20(27)12-19(13-21(24)32-4)26(31)29-25-23(18-8-6-5-7-9-18)28-22-11-10-17(3)14-30(22)25/h5-14,16H,15H2,1-4H3,(H,29,31)
InChIKeyWPTPANHXGMOPIN-UHFFFAOYSA-N
XLogP6.26
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide (CID 16559415) is 3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)Nc2c(-c3ccccc3)nc3ccc(C)cn23)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide?
The InChIKey is WPTPANHXGMOPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-16(2)15-33-24-20(27)12-19(13-21(24)32-4)26(31)29-25-23(18-8-6-5-7-9-18)28-22-11-10-17(3)14-30(22)25/h5-14,16H,15H2,1-4H3,(H,29,31).
What are the key properties of 3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide?
3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide has a molecular weight of 463.97 g/mol, XLogP of 6.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 16559415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).