2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone

C22H27N5O — CID 138515789

IUPAC2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone
SMILESCc1c(-c2cccc(N3CCN(C(=O)CN(C)C)CC3)c2)nc2ccccn12
InChIInChI=1S/C22H27N5O/c1-17-22(23-20-9-4-5-10-27(17)20)18-7-6-8-19(15-18)25-11-13-26(14-12-25)21(28)16-24(2)3/h4-10,15H,11-14,16H2,1-3H3
InChIKeyXVTXRXOQKBEGCM-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.52
Rot. Bonds4

About 2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone

2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone (PubChem CID 138515789) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone
PubChem CID138515789
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone
SMILESCc1c(-c2cccc(N3CCN(C(=O)CN(C)C)CC3)c2)nc2ccccn12
InChIInChI=1S/C22H27N5O/c1-17-22(23-20-9-4-5-10-27(17)20)18-7-6-8-19(15-18)25-11-13-26(14-12-25)21(28)16-24(2)3/h4-10,15H,11-14,16H2,1-3H3
InChIKeyXVTXRXOQKBEGCM-UHFFFAOYSA-N
XLogP2.52
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 59568051
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41335038
4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide
CID 138515800
3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile
CID 59984542
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164005
[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 138515717
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 110700701
2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51250244
N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161416
2-(dimethylamino)-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]ethanone
CID 133436628
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide
CID 108950423
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27041100

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone (CID 138515789) is 2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone is Cc1c(-c2cccc(N3CCN(C(=O)CN(C)C)CC3)c2)nc2ccccn12.
What is the InChIKey of 2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is XVTXRXOQKBEGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-17-22(23-20-9-4-5-10-27(17)20)18-7-6-8-19(15-18)25-11-13-26(14-12-25)21(28)16-24(2)3/h4-10,15H,11-14,16H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone?
2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 377.49 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 138515789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).