[2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C22H26N4O — CID 53167110

IUPAC[2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1C
InChIInChI=1S/C22H26N4O/c1-16-5-6-18(13-17(16)2)20-15-26-14-19(7-8-21(26)23-20)22(27)25-10-4-9-24(3)11-12-25/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeyHOZNVUJVINLSEN-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.40
Rot. Bonds2

About [2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 53167110) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID53167110
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1C
InChIInChI=1S/C22H26N4O/c1-16-5-6-18(13-17(16)2)20-15-26-14-19(7-8-21(26)23-20)22(27)25-10-4-9-24(3)11-12-25/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeyHOZNVUJVINLSEN-UHFFFAOYSA-N
XLogP3.40
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone with MolForge

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Related Compounds

[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 50848041
(2-methylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone
CID 110704149
(4-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 60628706
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
(4-methylphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808065
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
(3,4-dihydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103956223
[4-[6-(4-hydroxy-3,5-dimethylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 135962690
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118775973
4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde
CID 110704162
ethane;(4-methyl-1,4-diazepan-1-yl)-[4-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methanone
CID 144717955

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 53167110) is [2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is Cc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)ccc3n2)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is HOZNVUJVINLSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-5-6-18(13-17(16)2)20-15-26-14-19(7-8-21(26)23-20)22(27)25-10-4-9-24(3)11-12-25/h5-8,13-15H,4,9-12H2,1-3H3.
What are the key properties of [2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 362.48 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 53167110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).