2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine

C34H36Br2N6 — CID 159749263

IUPAC2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine
SMILESCCN(CC)CCc1c(-c2ccccc2)nc2cc(Br)ccn12.NCCc1c(-c2ccccc2)nc2cc(Br)ccn12
InChIInChI=1S/C19H22BrN3.C15H14BrN3/c1-3-22(4-2)12-11-17-19(15-8-6-5-7-9-15)21-18-14-16(20)10-13-23(17)18;16-12-7-9-19-13(6-8-17)15(18-14(19)10-12)11-4-2-1-3-5-11/h5-10,13-14H,3-4,11-12H2,1-2H3;1-5,7,9-10H,6,8,17H2
InChIKeyNDLGAZVZXKZFRZ-UHFFFAOYSA-N
MW688.51 g/mol
LogP7.91
Rot. Bonds9

About 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine

2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine (PubChem CID 159749263) has the molecular formula C34H36Br2N6 and a molecular weight of 688.51 g/mol. Its IUPAC name is 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine
PubChem CID159749263
Molecular FormulaC34H36Br2N6
Molecular Weight688.51 g/mol
Exact Mass686.14
IUPAC Name2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine
SMILESCCN(CC)CCc1c(-c2ccccc2)nc2cc(Br)ccn12.NCCc1c(-c2ccccc2)nc2cc(Br)ccn12
InChIInChI=1S/C19H22BrN3.C15H14BrN3/c1-3-22(4-2)12-11-17-19(15-8-6-5-7-9-15)21-18-14-16(20)10-13-23(17)18;16-12-7-9-19-13(6-8-17)15(18-14(19)10-12)11-4-2-1-3-5-11/h5-10,13-14H,3-4,11-12H2,1-2H3;1-5,7,9-10H,6,8,17H2
InChIKeyNDLGAZVZXKZFRZ-UHFFFAOYSA-N
XLogP7.91
TPSA63.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.51
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine with MolForge

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Related Compounds

Miransertib
CID 53262401
2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
Fazadinium Bromide
CID 6321422
2-(4-Bromophenyl)imidazo(1,2-a)pyridine-3-methanamine
CID 2757120
2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
CID 837893
3-(Diphenylphosphinothioyl)-2-methyl-1-[(2E)-3-phenyl-2-propen-1-yl]imidazo[1,2-a]pyridiniumbromide
CID 46930969
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10249182
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340
Imidazopyridine 10b
CID 5329341

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine?
The IUPAC name of 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine (CID 159749263) is 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine?
The canonical SMILES for 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine is CCN(CC)CCc1c(-c2ccccc2)nc2cc(Br)ccn12.NCCc1c(-c2ccccc2)nc2cc(Br)ccn12.
What is the InChIKey of 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine?
The InChIKey is NDLGAZVZXKZFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3.C15H14BrN3/c1-3-22(4-2)12-11-17-19(15-8-6-5-7-9-15)21-18-14-16(20)10-13-23(17)18;16-12-7-9-19-13(6-8-17)15(18-14(19)10-12)11-4-2-1-3-5-11/h5-10,13-14H,3-4,11-12H2,1-2H3;1-5,7,9-10H,6,8,17H2.
What are the key properties of 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine?
2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine has a molecular weight of 688.51 g/mol, XLogP of 7.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 159749263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).