N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C21H26ClN5O2 — CID 177231589

IUPACN-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCN(C)C(C)(C)/C=C/C(=O)N1CCn2c(C(=O)Nc3ccccc3Cl)cnc2C1
InChIInChI=1S/C21H26ClN5O2/c1-21(2,25(3)4)10-9-19(28)26-11-12-27-17(13-23-18(27)14-26)20(29)24-16-8-6-5-7-15(16)22/h5-10,13H,11-12,14H2,1-4H3,(H,24,29)/b10-9+
InChIKeyYYSZJZIAXPFWBR-MDZDMXLPSA-N
MW415.93 g/mol
LogP3.03
Rot. Bonds5

About N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 177231589) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID177231589
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC NameN-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCN(C)C(C)(C)/C=C/C(=O)N1CCn2c(C(=O)Nc3ccccc3Cl)cnc2C1
InChIInChI=1S/C21H26ClN5O2/c1-21(2,25(3)4)10-9-19(28)26-11-12-27-17(13-23-18(27)14-26)20(29)24-16-8-6-5-7-15(16)22/h5-10,13H,11-12,14H2,1-4H3,(H,24,29)/b10-9+
InChIKeyYYSZJZIAXPFWBR-MDZDMXLPSA-N
XLogP3.03
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
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
tert-butyl 3-[(3-chloro-2-fluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 177231458
N-(2-chlorophenyl)-6-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide
CID 177231021
tert-butyl 3-[(2-chlorophenyl)carbamoyl]-5-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 177231574
(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-(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
N-(2-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71844938
N-(2,5-dichlorophenyl)-6-methyl-7-[(E)-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 177230812
N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46882706
4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135252989

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 177231589) is N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is CN(C)C(C)(C)/C=C/C(=O)N1CCn2c(C(=O)Nc3ccccc3Cl)cnc2C1.
What is the InChIKey of N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is YYSZJZIAXPFWBR-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c1-21(2,25(3)4)10-9-19(28)26-11-12-27-17(13-23-18(27)14-26)20(29)24-16-8-6-5-7-15(16)22/h5-10,13H,11-12,14H2,1-4H3,(H,24,29)/b10-9+.
What are the key properties of N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 415.93 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 177231589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).