7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C14H23IN4 — CID 176563863

IUPAC7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCCN1CCC(CN2CCn3cc(I)nc3C2)CC1
InChIInChI=1S/C14H23IN4/c1-2-17-5-3-12(4-6-17)9-18-7-8-19-10-13(15)16-14(19)11-18/h10,12H,2-9,11H2,1H3
InChIKeyOFCLMCXSAHLXNO-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.04
Rot. Bonds3

About 7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 176563863) has the molecular formula C14H23IN4 and a molecular weight of 374.27 g/mol. Its IUPAC name is 7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID176563863
Molecular FormulaC14H23IN4
Molecular Weight374.27 g/mol
Exact Mass374.10
IUPAC Name7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCCN1CCC(CN2CCn3cc(I)nc3C2)CC1
InChIInChI=1S/C14H23IN4/c1-2-17-5-3-12(4-6-17)9-18-7-8-19-10-13(15)16-14(19)11-18/h10,12H,2-9,11H2,1H3
InChIKeyOFCLMCXSAHLXNO-UHFFFAOYSA-N
XLogP2.04
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 118745835
2-[(1-ethylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine
CID 117156558
7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 86774701
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
[2-(1-ethylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methanol
CID 117156123
N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine
CID 97467656
7-(oxan-4-ylmethyl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155836799
1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen
CID 166113030
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
4-[(1-ethylpiperidin-4-yl)methyl]morpholine;propane
CID 176563536
ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156885432
2-cyclopropyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155855876

Frequently Asked Questions

What is the IUPAC name of 7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 176563863) is 7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CCN1CCC(CN2CCn3cc(I)nc3C2)CC1.
What is the InChIKey of 7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is OFCLMCXSAHLXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IN4/c1-2-17-5-3-12(4-6-17)9-18-7-8-19-10-13(15)16-14(19)11-18/h10,12H,2-9,11H2,1H3.
What are the key properties of 7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 374.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-ethylpiperidin-4-yl)methyl]-2-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 176563863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).