2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride

C16H25Cl2N5O — CID 119837375

IUPAC2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
SMILESCC(C)(N)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1.Cl.Cl
InChIInChI=1S/C16H23N5O.2ClH/c1-16(2,17)15(22)20-9-7-19(8-10-20)11-13-12-21-6-4-3-5-14(21)18-13;;/h3-6,12H,7-11,17H2,1-2H3;2*1H
InChIKeyZOAONLHIFBTSAC-UHFFFAOYSA-N
MW374.32 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride

2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride (PubChem CID 119837375) has the molecular formula C16H25Cl2N5O and a molecular weight of 374.32 g/mol. Its IUPAC name is 2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
PubChem CID119837375
Molecular FormulaC16H25Cl2N5O
Molecular Weight374.32 g/mol
Exact Mass373.14
IUPAC Name2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
SMILESCC(C)(N)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1.Cl.Cl
InChIInChI=1S/C16H23N5O.2ClH/c1-16(2,17)15(22)20-9-7-19(8-10-20)11-13-12-21-6-4-3-5-14(21)18-13;;/h3-6,12H,7-11,17H2,1-2H3;2*1H
InChIKeyZOAONLHIFBTSAC-UHFFFAOYSA-N
XLogP1.56
TPSA66.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride with MolForge

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Related Compounds

(1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119837365
(4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 134056660
3-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120502657
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119837381
ethyl 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetate
CID 134031725
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 71944000
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-4-(methylamino)butan-1-one
CID 119837382
2-ethoxy-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 51080863
methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate
CID 94393972
2-(4-fluorophenyl)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 134056686
(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 92764804
(4-hydroxypyrrolidin-2-yl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119837405

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride?
The IUPAC name of 2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride (CID 119837375) is 2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride is CC(C)(N)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride?
The InChIKey is ZOAONLHIFBTSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O.2ClH/c1-16(2,17)15(22)20-9-7-19(8-10-20)11-13-12-21-6-4-3-5-14(21)18-13;;/h3-6,12H,7-11,17H2,1-2H3;2*1H.
What are the key properties of 2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride?
2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride has a molecular weight of 374.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride is sourced from PubChem (CID 119837375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).