4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide

C20H16BrN5O — CID 67384270

IUPAC4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide
SMILESCc1cc(Br)c(C)c(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)n1
InChIInChI=1S/C20H16BrN5O/c1-12-10-15(21)13(2)18(22-12)19(27)24-17-8-9-26-11-16(23-20(26)25-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,23,24,25,27)
InChIKeyRRFUOPSIANPQQB-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.42
Rot. Bonds3

About 4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide

4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide (PubChem CID 67384270) has the molecular formula C20H16BrN5O and a molecular weight of 422.29 g/mol. Its IUPAC name is 4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide
PubChem CID67384270
Molecular FormulaC20H16BrN5O
Molecular Weight422.29 g/mol
Exact Mass421.05
IUPAC Name4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide
SMILESCc1cc(Br)c(C)c(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)n1
InChIInChI=1S/C20H16BrN5O/c1-12-10-15(21)13(2)18(22-12)19(27)24-17-8-9-26-11-16(23-20(26)25-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,23,24,25,27)
InChIKeyRRFUOPSIANPQQB-UHFFFAOYSA-N
XLogP4.42
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
CID 67388568
4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide
CID 67388723
1-methyl-4-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-3-carboxylic acid
CID 67391783
ethyl 1-ethyl-3-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 67388015
2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide
CID 53466934
ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 53467806
1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
CID 90206413
4-N-(2-hydroxypropyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 58446793
5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 71245150
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone
CID 58446907
4-N,1-dimethyl-4-N-(2-methylpropyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67384242
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(1-pyridin-3-ylethyl)pyrazole-4,5-dicarboxamide
CID 67392157

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide?
The IUPAC name of 4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide (CID 67384270) is 4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide is Cc1cc(Br)c(C)c(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)n1.
What is the InChIKey of 4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide?
The InChIKey is RRFUOPSIANPQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O/c1-12-10-15(21)13(2)18(22-12)19(27)24-17-8-9-26-11-16(23-20(26)25-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,23,24,25,27).
What are the key properties of 4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide?
4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide has a molecular weight of 422.29 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide is sourced from PubChem (CID 67384270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).