6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid

C18H15Br2N5O3 — CID 161378577

IUPAC6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1nc2ccc(Br)cn2c1C(=O)O.Cc1nc2ccc(Br)cn2c1C(N)=O
InChIInChI=1S/C9H8BrN3O.C9H7BrN2O2/c1-5-8(9(11)14)13-4-6(10)2-3-7(13)12-5;1-5-8(9(13)14)12-4-6(10)2-3-7(12)11-5/h2-4H,1H3,(H2,11,14);2-4H,1H3,(H,13,14)
InChIKeyVRKFTPLWYLZRAA-UHFFFAOYSA-N
MW509.16 g/mol
LogP3.61
Rot. Bonds2

About 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid

6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 161378577) has the molecular formula C18H15Br2N5O3 and a molecular weight of 509.16 g/mol. Its IUPAC name is 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID161378577
Molecular FormulaC18H15Br2N5O3
Molecular Weight509.16 g/mol
Exact Mass506.95
IUPAC Name6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1nc2ccc(Br)cn2c1C(=O)O.Cc1nc2ccc(Br)cn2c1C(N)=O
InChIInChI=1S/C9H8BrN3O.C9H7BrN2O2/c1-5-8(9(11)14)13-4-6(10)2-3-7(13)12-5;1-5-8(9(13)14)12-4-6(10)2-3-7(12)11-5/h2-4H,1H3,(H2,11,14);2-4H,1H3,(H,13,14)
InChIKeyVRKFTPLWYLZRAA-UHFFFAOYSA-N
XLogP3.61
TPSA114.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.16
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 21345663
6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 113303487
2-methyl-6-nitroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 12872601
(E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39196018
6-bromo-1-methylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 82380854
6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 5497455
ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 75365536
6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356837
6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 126018157
6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 171988440
6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82022008
6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 117099226

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 161378577) is 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid is Cc1nc2ccc(Br)cn2c1C(=O)O.Cc1nc2ccc(Br)cn2c1C(N)=O.
What is the InChIKey of 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is VRKFTPLWYLZRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O.C9H7BrN2O2/c1-5-8(9(11)14)13-4-6(10)2-3-7(13)12-5;1-5-8(9(13)14)12-4-6(10)2-3-7(12)11-5/h2-4H,1H3,(H2,11,14);2-4H,1H3,(H,13,14).
What are the key properties of 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 509.16 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 161378577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).