[3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C21H24N4O2 — CID 87051612

IUPAC[3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCOc1ccc(-c2c(C(=O)N3CCCN(C)CC3)nc3ccccn23)cc1
InChIInChI=1S/C21H24N4O2/c1-23-11-5-12-24(15-14-23)21(26)19-20(16-7-9-17(27-2)10-8-16)25-13-4-3-6-18(25)22-19/h3-4,6-10,13H,5,11-12,14-15H2,1-2H3
InChIKeyXDWJQHQIVZTFMP-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.79
Rot. Bonds3

About [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 87051612) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID87051612
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCOc1ccc(-c2c(C(=O)N3CCCN(C)CC3)nc3ccccn23)cc1
InChIInChI=1S/C21H24N4O2/c1-23-11-5-12-24(15-14-23)21(26)19-20(16-7-9-17(27-2)10-8-16)25-13-4-3-6-18(25)22-19/h3-4,6-10,13H,5,11-12,14-15H2,1-2H3
InChIKeyXDWJQHQIVZTFMP-UHFFFAOYSA-N
XLogP2.79
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone with MolForge

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Related Compounds

(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
[3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-piperidin-1-ylmethanone
CID 109068367
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 77092201
(4-methoxyphenyl) 4-methyl-1,4-diazepane-1-carboxylate
CID 89421681
3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-amine
CID 162644222
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051635
[1-ethyl-4-(4-methoxyphenyl)pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 53147777
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051619
3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 142784458
[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 6473283
(2-amino-5-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 54878519
azetidin-1-yl-[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanone
CID 126700180

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 87051612) is [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is COc1ccc(-c2c(C(=O)N3CCCN(C)CC3)nc3ccccn23)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is XDWJQHQIVZTFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-23-11-5-12-24(15-14-23)21(26)19-20(16-7-9-17(27-2)10-8-16)25-13-4-3-6-18(25)22-19/h3-4,6-10,13H,5,11-12,14-15H2,1-2H3.
What are the key properties of [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 87051612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).