2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine

C17H22N6 — CID 141415821

IUPAC2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCCc1cn2cc(N3CCN(Cc4cnc[nH]4)CC3)ccc2n1
InChIInChI=1S/C17H22N6/c1-2-14-11-23-12-16(3-4-17(23)20-14)22-7-5-21(6-8-22)10-15-9-18-13-19-15/h3-4,9,11-13H,2,5-8,10H2,1H3,(H,18,19)
InChIKeyWKLVIRWNWBUIKI-UHFFFAOYSA-N
MW310.41 g/mol
LogP1.94
Rot. Bonds4

About 2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine

2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine (PubChem CID 141415821) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is 2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
PubChem CID141415821
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC Name2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCCc1cn2cc(N3CCN(Cc4cnc[nH]4)CC3)ccc2n1
InChIInChI=1S/C17H22N6/c1-2-14-11-23-12-16(3-4-17(23)20-14)22-7-5-21(6-8-22)10-15-9-18-13-19-15/h3-4,9,11-13H,2,5-8,10H2,1H3,(H,18,19)
InChIKeyWKLVIRWNWBUIKI-UHFFFAOYSA-N
XLogP1.94
TPSA52.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 117099205
2-[4-(2-ethylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]sulfinylacetamide
CID 155469585
1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015
(6-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)methanamine
CID 117099368
1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 174338495
2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol
CID 115747077
6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine
CID 87015597
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methylimidazo[1,2-a]pyridine
CID 19367156
2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82022014
1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine
CID 69118261
2-ethyl-6-fluoroimidazo[1,2-a]pyridine
CID 70295654
1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine
CID 171622315

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine (CID 141415821) is 2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine is CCc1cn2cc(N3CCN(Cc4cnc[nH]4)CC3)ccc2n1.
What is the InChIKey of 2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is WKLVIRWNWBUIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-2-14-11-23-12-16(3-4-17(23)20-14)22-7-5-21(6-8-22)10-15-9-18-13-19-15/h3-4,9,11-13H,2,5-8,10H2,1H3,(H,18,19).
What are the key properties of 2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 310.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 141415821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).