(4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone

C16H21N3O — CID 56821890

IUPAC(4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccc2nc(C(=O)N3CCCC(C)CC3)cn12
InChIInChI=1S/C16H21N3O/c1-12-5-4-9-18(10-8-12)16(20)14-11-19-13(2)6-3-7-15(19)17-14/h3,6-7,11-12H,4-5,8-10H2,1-2H3
InChIKeyULKLSKMDGGVLDE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.90
Rot. Bonds1

About (4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone

(4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 56821890) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID56821890
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccc2nc(C(=O)N3CCCC(C)CC3)cn12
InChIInChI=1S/C16H21N3O/c1-12-5-4-9-18(10-8-12)16(20)14-11-19-13(2)6-3-7-15(19)17-14/h3,6-7,11-12H,4-5,8-10H2,1-2H3
InChIKeyULKLSKMDGGVLDE-UHFFFAOYSA-N
XLogP2.90
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030760
(5-methylimidazo[1,2-a]pyridin-2-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 56795662
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 40723165
4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one
CID 62897584
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 125010567
(3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137343036
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95315442
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one
CID 60693398
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 94102823
(5-methylimidazo[1,2-a]pyridin-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 31951738
[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 116636500

Frequently Asked Questions

What is the IUPAC name of (4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of (4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 56821890) is (4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for (4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for (4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1cccc2nc(C(=O)N3CCCC(C)CC3)cn12.
What is the InChIKey of (4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is ULKLSKMDGGVLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-5-4-9-18(10-8-12)16(20)14-11-19-13(2)6-3-7-15(19)17-14/h3,6-7,11-12H,4-5,8-10H2,1-2H3.
What are the key properties of (4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
(4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 56821890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).