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

C21H25N5O — CID 50952901

IUPAC(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
SMILESCc1ccc2nc(C)c(C(=O)N3CCCN(c4ccncc4C)CC3)n2c1
InChIInChI=1S/C21H25N5O/c1-15-5-6-19-23-17(3)20(26(19)14-15)21(27)25-10-4-9-24(11-12-25)18-7-8-22-13-16(18)2/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyMHGOHYCFHSXZSP-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.01
Rot. Bonds2

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

(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone (PubChem CID 50952901) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
PubChem CID50952901
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
SMILESCc1ccc2nc(C)c(C(=O)N3CCCN(c4ccncc4C)CC3)n2c1
InChIInChI=1S/C21H25N5O/c1-15-5-6-19-23-17(3)20(26(19)14-15)21(27)25-10-4-9-24(11-12-25)18-7-8-22-13-16(18)2/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyMHGOHYCFHSXZSP-UHFFFAOYSA-N
XLogP3.01
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 70715380
(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110660029
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 70752019
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-methylsulfanylethanone
CID 70756431
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70717959
N-[(3-methylphenyl)methyl]-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 119063057
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 131931744
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 50969950
[4-(2-methylphenyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 70731187
(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 77087976
[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 91767375
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone
CID 72925608

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone (CID 50952901) is (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone is Cc1ccc2nc(C)c(C(=O)N3CCCN(c4ccncc4C)CC3)n2c1.
What is the InChIKey of (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is MHGOHYCFHSXZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-5-6-19-23-17(3)20(26(19)14-15)21(27)25-10-4-9-24(11-12-25)18-7-8-22-13-16(18)2/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone?
(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 363.47 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 50952901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).