3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide

C30H25BrN6O2 — CID 68734339

IUPAC3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccn3c(Br)cnc3c2)c1.CNC(=O)c1cccc(-c2ccn3ccnc3c2)c1
InChIInChI=1S/C15H12BrN3O.C15H13N3O/c1-17-15(20)12-4-2-3-10(7-12)11-5-6-19-13(16)9-18-14(19)8-11;1-16-15(19)13-4-2-3-11(9-13)12-5-7-18-8-6-17-14(18)10-12/h2-9H,1H3,(H,17,20);2-10H,1H3,(H,16,19)
InChIKeyTZZPYRZRDNKYGZ-UHFFFAOYSA-N
MW581.47 g/mol
LogP5.48
Rot. Bonds4

About 3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide

3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide (PubChem CID 68734339) has the molecular formula C30H25BrN6O2 and a molecular weight of 581.47 g/mol. Its IUPAC name is 3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide.

Molecular Properties

Compound Name3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide
PubChem CID68734339
Molecular FormulaC30H25BrN6O2
Molecular Weight581.47 g/mol
Exact Mass580.12
IUPAC Name3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccn3c(Br)cnc3c2)c1.CNC(=O)c1cccc(-c2ccn3ccnc3c2)c1
InChIInChI=1S/C15H12BrN3O.C15H13N3O/c1-17-15(20)12-4-2-3-10(7-12)11-5-6-19-13(16)9-18-14(19)8-11;1-16-15(19)13-4-2-3-11(9-13)12-5-7-18-8-6-17-14(18)10-12/h2-9H,1H3,(H,17,20);2-10H,1H3,(H,16,19)
InChIKeyTZZPYRZRDNKYGZ-UHFFFAOYSA-N
XLogP5.48
TPSA92.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.47
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide?
The IUPAC name of 3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide (CID 68734339) is 3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide.
What is the SMILES notation for 3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide?
The canonical SMILES for 3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide is CNC(=O)c1cccc(-c2ccn3c(Br)cnc3c2)c1.CNC(=O)c1cccc(-c2ccn3ccnc3c2)c1.
What is the InChIKey of 3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide?
The InChIKey is TZZPYRZRDNKYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O.C15H13N3O/c1-17-15(20)12-4-2-3-10(7-12)11-5-6-19-13(16)9-18-14(19)8-11;1-16-15(19)13-4-2-3-11(9-13)12-5-7-18-8-6-17-14(18)10-12/h2-9H,1H3,(H,17,20);2-10H,1H3,(H,16,19).
What are the key properties of 3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide?
3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide has a molecular weight of 581.47 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoimidazo[1,2-a]pyridin-7-yl)-N-methylbenzamide;3-imidazo[1,2-a]pyridin-7-yl-N-methylbenzamide is sourced from PubChem (CID 68734339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).