ethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde

C28H42N4O2 — CID 177230445

IUPACethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde
SMILESCC.CCCc1ccccc1CC.O=Cc1cnc2n1CCN(C(=O)/C=C/C1CCCNC1)C2
InChIInChI=1S/C15H20N4O2.C11H16.C2H6/c20-11-13-9-17-14-10-18(6-7-19(13)14)15(21)4-3-12-2-1-5-16-8-12;1-3-7-11-9-6-5-8-10(11)4-2;1-2/h3-4,9,11-12,16H,1-2,5-8,10H2;5-6,8-9H,3-4,7H2,1-2H3;1-2H3/b4-3+;;
InChIKeyOCZWNYLMFTWVMS-CZEFNJPISA-N
MW466.67 g/mol
LogP4.82
Rot. Bonds6

About ethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde

ethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde (PubChem CID 177230445) has the molecular formula C28H42N4O2 and a molecular weight of 466.67 g/mol. Its IUPAC name is ethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde.

Molecular Properties

Compound Nameethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde
PubChem CID177230445
Molecular FormulaC28H42N4O2
Molecular Weight466.67 g/mol
Exact Mass466.33
IUPAC Nameethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde
SMILESCC.CCCc1ccccc1CC.O=Cc1cnc2n1CCN(C(=O)/C=C/C1CCCNC1)C2
InChIInChI=1S/C15H20N4O2.C11H16.C2H6/c20-11-13-9-17-14-10-18(6-7-19(13)14)15(21)4-3-12-2-1-5-16-8-12;1-3-7-11-9-6-5-8-10(11)4-2;1-2/h3-4,9,11-12,16H,1-2,5-8,10H2;5-6,8-9H,3-4,7H2,1-2H3;1-2H3/b4-3+;;
InChIKeyOCZWNYLMFTWVMS-CZEFNJPISA-N
XLogP4.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.67
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde with MolForge

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Related Compounds

7-[(E)-4-phenylmethoxybut-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde
CID 177231087
2-[[(E)-4-(3-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-oxobut-2-enyl]-methylamino]acetic acid
CID 177230985
(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-[1-(7-aminoheptyl)pyrrolidin-2-yl]prop-2-en-1-one;1-chloro-2-ethylbenzene
CID 177230279
N-(2-ethylphenyl)azepan-3-amine
CID 102076155
(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-[ethyl(methyl)amino]but-2-en-1-one
CID 177230371
N-ethyl-N-piperidin-3-yl-2-pyridin-2-ylacetamide
CID 55247016
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
ethane;piperidine-3-carbaldehyde;propane
CID 145347088
7-[(E)-3-[1-(7-aminoheptyl)pyrrolidin-2-yl]prop-2-enoyl]-N-(2-chlorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 177230435
[4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 142475066
2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
CID 116548123
2-(2-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799977

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde?
The IUPAC name of ethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde (CID 177230445) is ethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde.
What is the SMILES notation for ethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde?
The canonical SMILES for ethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde is CC.CCCc1ccccc1CC.O=Cc1cnc2n1CCN(C(=O)/C=C/C1CCCNC1)C2.
What is the InChIKey of ethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde?
The InChIKey is OCZWNYLMFTWVMS-CZEFNJPISA-N. The full InChI is InChI=1S/C15H20N4O2.C11H16.C2H6/c20-11-13-9-17-14-10-18(6-7-19(13)14)15(21)4-3-12-2-1-5-16-8-12;1-3-7-11-9-6-5-8-10(11)4-2;1-2/h3-4,9,11-12,16H,1-2,5-8,10H2;5-6,8-9H,3-4,7H2,1-2H3;1-2H3/b4-3+;;.
What are the key properties of ethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde?
ethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde has a molecular weight of 466.67 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-propylbenzene;7-[(E)-3-piperidin-3-ylprop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbaldehyde is sourced from PubChem (CID 177230445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).