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

C16H23Cl2N5O — CID 119837365

IUPAC(1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CC1
InChIInChI=1S/C16H21N5O.2ClH/c17-16(4-5-16)15(22)20-9-7-19(8-10-20)11-13-12-21-6-2-1-3-14(21)18-13;;/h1-3,6,12H,4-5,7-11,17H2;2*1H
InChIKeyITTCZKVJLPNWPF-UHFFFAOYSA-N
MW372.30 g/mol
LogP1.31
Rot. Bonds3

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

(1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119837365) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119837365
Molecular FormulaC16H23Cl2N5O
Molecular Weight372.30 g/mol
Exact Mass371.13
IUPAC Name(1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CC1
InChIInChI=1S/C16H21N5O.2ClH/c17-16(4-5-16)15(22)20-9-7-19(8-10-20)11-13-12-21-6-2-1-3-14(21)18-13;;/h1-3,6,12H,4-5,7-11,17H2;2*1H
InChIKeyITTCZKVJLPNWPF-UHFFFAOYSA-N
XLogP1.31
TPSA66.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119837375
[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119837434
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119837381
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
3-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120502657
ethyl 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetate
CID 134031725
2-(4-fluorophenyl)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 134056686
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]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119837441
(4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 134056660
(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 (1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride (CID 119837365) is (1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is ITTCZKVJLPNWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2ClH/c17-16(4-5-16)15(22)20-9-7-19(8-10-20)11-13-12-21-6-2-1-3-14(21)18-13;;/h1-3,6,12H,4-5,7-11,17H2;2*1H.
What are the key properties of (1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride?
(1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119837365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).