N-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine

C22H30ClN5O2 — CID 177231797

IUPACN-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine
SMILESC/C=C/CN(C)CC.CC1c2ncc(C(=O)Nc3ccccc3Cl)n2CCN1C=O
InChIInChI=1S/C15H15ClN4O2.C7H15N/c1-10-14-17-8-13(20(14)7-6-19(10)9-21)15(22)18-12-5-3-2-4-11(12)16;1-4-6-7-8(3)5-2/h2-5,8-10H,6-7H2,1H3,(H,18,22);4,6H,5,7H2,1-3H3/b;6-4+
InChIKeyMNCIWHDUTYEIER-DVXCEAISSA-N
MW431.97 g/mol
LogP3.84
Rot. Bonds6

About N-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine

N-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine (PubChem CID 177231797) has the molecular formula C22H30ClN5O2 and a molecular weight of 431.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine
PubChem CID177231797
Molecular FormulaC22H30ClN5O2
Molecular Weight431.97 g/mol
Exact Mass431.21
IUPAC NameN-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine
SMILESC/C=C/CN(C)CC.CC1c2ncc(C(=O)Nc3ccccc3Cl)n2CCN1C=O
InChIInChI=1S/C15H15ClN4O2.C7H15N/c1-10-14-17-8-13(20(14)7-6-19(10)9-21)15(22)18-12-5-3-2-4-11(12)16;1-4-6-7-8(3)5-2/h2-5,8-10H,6-7H2,1H3,(H,18,22);4,6H,5,7H2,1-3H3/b;6-4+
InChIKeyMNCIWHDUTYEIER-DVXCEAISSA-N
XLogP3.84
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine 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

N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 177231589
tert-butyl N-[(E)-5-[3-[(2-chlorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxopent-3-enyl]-N-methylcarbamate
CID 177230341
N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 177231047
N-(2-chlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide
CID 62640663
N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7733216
N-(2-chlorophenyl)-6-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide
CID 177231021
N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46882706
7-[[(E)-but-2-enoyl]amino]-N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 177229812
N-(2-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183519
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253915
N-(2-chlorophenyl)-4-[ethyl(methyl)amino]benzamide
CID 86865212
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine?
The IUPAC name of N-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine (CID 177231797) is N-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine.
What is the SMILES notation for N-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine?
The canonical SMILES for N-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine is C/C=C/CN(C)CC.CC1c2ncc(C(=O)Nc3ccccc3Cl)n2CCN1C=O.
What is the InChIKey of N-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine?
The InChIKey is MNCIWHDUTYEIER-DVXCEAISSA-N. The full InChI is InChI=1S/C15H15ClN4O2.C7H15N/c1-10-14-17-8-13(20(14)7-6-19(10)9-21)15(22)18-12-5-3-2-4-11(12)16;1-4-6-7-8(3)5-2/h2-5,8-10H,6-7H2,1H3,(H,18,22);4,6H,5,7H2,1-3H3/b;6-4+.
What are the key properties of N-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine?
N-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine has a molecular weight of 431.97 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-7-formyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;(E)-N-ethyl-N-methylbut-2-en-1-amine is sourced from PubChem (CID 177231797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).