2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide

C16H17Br2N3O2 — CID 140914781

IUPAC2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide
SMILESBr.CNc1ccn2cc(-c3cc(Br)c(OC)cc3OC)nc2c1
InChIInChI=1S/C16H16BrN3O2.BrH/c1-18-10-4-5-20-9-13(19-16(20)6-10)11-7-12(17)15(22-3)8-14(11)21-2;/h4-9,18H,1-3H3;1H
InChIKeyQCHVJLUFTFHHSC-UHFFFAOYSA-N
MW443.14 g/mol
LogP4.40
Rot. Bonds4

About 2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide

2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide (PubChem CID 140914781) has the molecular formula C16H17Br2N3O2 and a molecular weight of 443.14 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide
PubChem CID140914781
Molecular FormulaC16H17Br2N3O2
Molecular Weight443.14 g/mol
Exact Mass440.97
IUPAC Name2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide
SMILESBr.CNc1ccn2cc(-c3cc(Br)c(OC)cc3OC)nc2c1
InChIInChI=1S/C16H16BrN3O2.BrH/c1-18-10-4-5-20-9-13(19-16(20)6-10)11-7-12(17)15(22-3)8-14(11)21-2;/h4-9,18H,1-3H3;1H
InChIKeyQCHVJLUFTFHHSC-UHFFFAOYSA-N
XLogP4.40
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.14
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide?
The IUPAC name of 2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide (CID 140914781) is 2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide.
What is the SMILES notation for 2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide?
The canonical SMILES for 2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide is Br.CNc1ccn2cc(-c3cc(Br)c(OC)cc3OC)nc2c1.
What is the InChIKey of 2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide?
The InChIKey is QCHVJLUFTFHHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2.BrH/c1-18-10-4-5-20-9-13(19-16(20)6-10)11-7-12(17)15(22-3)8-14(11)21-2;/h4-9,18H,1-3H3;1H.
What are the key properties of 2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide?
2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide has a molecular weight of 443.14 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine;hydrobromide is sourced from PubChem (CID 140914781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).