6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide

C33H32BrN5O3 — CID 158190354

IUPAC6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cn2cc(Br)cc(OCc3ccccc3)c2n1.Cc1cn2cc(C(=O)N(C)C)cc(OCc3ccccc3)c2n1
InChIInChI=1S/C18H19N3O2.C15H13BrN2O/c1-13-10-21-11-15(18(22)20(2)3)9-16(17(21)19-13)23-12-14-7-5-4-6-8-14;1-11-8-18-9-13(16)7-14(15(18)17-11)19-10-12-5-3-2-4-6-12/h4-11H,12H2,1-3H3;2-9H,10H2,1H3
InChIKeyFZRGQDXPERRWMH-UHFFFAOYSA-N
MW626.56 g/mol
LogP6.91
Rot. Bonds7

About 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide

6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 158190354) has the molecular formula C33H32BrN5O3 and a molecular weight of 626.56 g/mol. Its IUPAC name is 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID158190354
Molecular FormulaC33H32BrN5O3
Molecular Weight626.56 g/mol
Exact Mass625.17
IUPAC Name6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cn2cc(Br)cc(OCc3ccccc3)c2n1.Cc1cn2cc(C(=O)N(C)C)cc(OCc3ccccc3)c2n1
InChIInChI=1S/C18H19N3O2.C15H13BrN2O/c1-13-10-21-11-15(18(22)20(2)3)9-16(17(21)19-13)23-12-14-7-5-4-6-8-14;1-11-8-18-9-13(16)7-14(15(18)17-11)19-10-12-5-3-2-4-6-12/h4-11H,12H2,1-3H3;2-9H,10H2,1H3
InChIKeyFZRGQDXPERRWMH-UHFFFAOYSA-N
XLogP6.91
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.56
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide (CID 158190354) is 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide is Cc1cn2cc(Br)cc(OCc3ccccc3)c2n1.Cc1cn2cc(C(=O)N(C)C)cc(OCc3ccccc3)c2n1.
What is the InChIKey of 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is FZRGQDXPERRWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2.C15H13BrN2O/c1-13-10-21-11-15(18(22)20(2)3)9-16(17(21)19-13)23-12-14-7-5-4-6-8-14;1-11-8-18-9-13(16)7-14(15(18)17-11)19-10-12-5-3-2-4-6-12/h4-11H,12H2,1-3H3;2-9H,10H2,1H3.
What are the key properties of 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide?
6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 626.56 g/mol, XLogP of 6.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine;N,N,2-trimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 158190354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).