1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone

C15H18N4O2 — CID 97226980

IUPAC1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(C(=O)c2cnc3ccccn23)CC1
InChIInChI=1S/C15H18N4O2/c1-12(20)17-6-4-7-18(10-9-17)15(21)13-11-16-14-5-2-3-8-19(13)14/h2-3,5,8,11H,4,6-7,9-10H2,1H3
InChIKeyNIBBPUHTANGMMO-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.03
Rot. Bonds1

About 1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone

1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 97226980) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
PubChem CID97226980
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(C(=O)c2cnc3ccccn23)CC1
InChIInChI=1S/C15H18N4O2/c1-12(20)17-6-4-7-18(10-9-17)15(21)13-11-16-14-5-2-3-8-19(13)14/h2-3,5,8,11H,4,6-7,9-10H2,1H3
InChIKeyNIBBPUHTANGMMO-UHFFFAOYSA-N
XLogP1.03
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone
CID 46846990
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 90571718
N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 50970736
1-[4-[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
CID 109068040
3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46471244
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
imidazo[1,2-a]pyridin-3-yl-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 70748196
[2-(imidazo[1,2-a]pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 166373446
[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyridin-3-ylmethanone
CID 70769055
[4-(cyclopropylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-imidazo[1,2-a]pyridin-3-ylmethanone
CID 56888652
4-(imidazo[1,2-a]pyridine-3-carbonyl)benzoic acid
CID 67003128
imidazo[1,2-a]pyridin-3-yl-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457705

Frequently Asked Questions

What is the IUPAC name of 1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone (CID 97226980) is 1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(C(=O)c2cnc3ccccn23)CC1.
What is the InChIKey of 1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is NIBBPUHTANGMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-12(20)17-6-4-7-18(10-9-17)15(21)13-11-16-14-5-2-3-8-19(13)14/h2-3,5,8,11H,4,6-7,9-10H2,1H3.
What are the key properties of 1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone?
1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 286.33 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 97226980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).