4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide

C23H20BrN3O3 — CID 42693813

IUPAC4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C23H20BrN3O3/c1-14-4-11-20-25-21(16-7-10-18(29-2)19(12-16)30-3)22(27(20)13-14)26-23(28)15-5-8-17(24)9-6-15/h4-13H,1-3H3,(H,26,28)
InChIKeyJSTFXIQNEYBMTF-UHFFFAOYSA-N
MW466.34 g/mol
LogP5.34
Rot. Bonds5

About 4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide

4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 42693813) has the molecular formula C23H20BrN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is 4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID42693813
Molecular FormulaC23H20BrN3O3
Molecular Weight466.34 g/mol
Exact Mass465.07
IUPAC Name4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C23H20BrN3O3/c1-14-4-11-20-25-21(16-7-10-18(29-2)19(12-16)30-3)22(27(20)13-14)26-23(28)15-5-8-17(24)9-6-15/h4-13H,1-3H3,(H,26,28)
InChIKeyJSTFXIQNEYBMTF-UHFFFAOYSA-N
XLogP5.34
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.34
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694129
2-(3,4-dimethoxyphenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3573491
4-methyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694621
(Z)-3-[6-bromo-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908070
3-[6-bromo-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2756936
4-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 17013946
4-[3-(tert-butylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 856450
2-methoxy-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42881672
[4-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 4-methoxybenzoate
CID 4521142
2,4-dichloro-N-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 42881641
3-chloro-5-methoxy-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(2-methylpropoxy)benzamide
CID 16559415
(2R)-2-chloro-N-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanamide
CID 93016814

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide (CID 42693813) is 4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide is COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(Br)cc2)cc1OC.
What is the InChIKey of 4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is JSTFXIQNEYBMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O3/c1-14-4-11-20-25-21(16-7-10-18(29-2)19(12-16)30-3)22(27(20)13-14)26-23(28)15-5-8-17(24)9-6-15/h4-13H,1-3H3,(H,26,28).
What are the key properties of 4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide?
4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 466.34 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 42693813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).