1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride

C18H27Cl2N5O — CID 119837441

IUPAC1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)N1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C18H25N5O.2ClH/c24-18(12-15-4-3-6-19-15)22-10-8-21(9-11-22)13-16-14-23-7-2-1-5-17(23)20-16;;/h1-2,5,7,14-15,19H,3-4,6,8-13H2;2*1H
InChIKeyMFZSYUHFYXPSQB-UHFFFAOYSA-N
MW400.35 g/mol
LogP1.96
Rot. Bonds4

About 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride

1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride (PubChem CID 119837441) has the molecular formula C18H27Cl2N5O and a molecular weight of 400.35 g/mol. Its IUPAC name is 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
PubChem CID119837441
Molecular FormulaC18H27Cl2N5O
Molecular Weight400.35 g/mol
Exact Mass399.16
IUPAC Name1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)N1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C18H25N5O.2ClH/c24-18(12-15-4-3-6-19-15)22-10-8-21(9-11-22)13-16-14-23-7-2-1-5-17(23)20-16;;/h1-2,5,7,14-15,19H,3-4,6,8-13H2;2*1H
InChIKeyMFZSYUHFYXPSQB-UHFFFAOYSA-N
XLogP1.96
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 94468397
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119837429
2-(4-fluorophenyl)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 134056686
(4-hydroxypyrrolidin-2-yl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119837405
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 71944000
(1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119837365
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119837381
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 92817222
2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119837375
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-4-(methylamino)butan-1-one
CID 119837382
1-[4-(2-phenylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119838033
2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine
CID 62333242

Frequently Asked Questions

What is the IUPAC name of 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
The IUPAC name of 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride (CID 119837441) is 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride.
What is the SMILES notation for 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
The canonical SMILES for 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)N1CCN(Cc2cn3ccccc3n2)CC1.
What is the InChIKey of 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
The InChIKey is MFZSYUHFYXPSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O.2ClH/c24-18(12-15-4-3-6-19-15)22-10-8-21(9-11-22)13-16-14-23-7-2-1-5-17(23)20-16;;/h1-2,5,7,14-15,19H,3-4,6,8-13H2;2*1H.
What are the key properties of 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride is sourced from PubChem (CID 119837441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).