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

C22H25Cl2N5O2 — CID 177230812

IUPACN-(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
SMILESCC1Cn2c(C(=O)Nc3cc(Cl)ccc3Cl)cnc2CN1C(=O)/C=C/[C@H]1CCCN1C
InChIInChI=1S/C22H25Cl2N5O2/c1-14-12-29-19(22(31)26-18-10-15(23)5-7-17(18)24)11-25-20(29)13-28(14)21(30)8-6-16-4-3-9-27(16)2/h5-8,10-11,14,16H,3-4,9,12-13H2,1-2H3,(H,26,31)/b8-6+/t14?,16-/m1/s1
InChIKeyDQJSTMCFMXLPND-UZDQRESMSA-N
MW462.38 g/mol
LogP3.82
Rot. Bonds4

About 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

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 (PubChem CID 177230812) has the molecular formula C22H25Cl2N5O2 and a molecular weight of 462.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID177230812
Molecular FormulaC22H25Cl2N5O2
Molecular Weight462.38 g/mol
Exact Mass461.14
IUPAC NameN-(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
SMILESCC1Cn2c(C(=O)Nc3cc(Cl)ccc3Cl)cnc2CN1C(=O)/C=C/[C@H]1CCCN1C
InChIInChI=1S/C22H25Cl2N5O2/c1-14-12-29-19(22(31)26-18-10-15(23)5-7-17(18)24)11-25-20(29)13-28(14)21(30)8-6-16-4-3-9-27(16)2/h5-8,10-11,14,16H,3-4,9,12-13H2,1-2H3,(H,26,31)/b8-6+/t14?,16-/m1/s1
InChIKeyDQJSTMCFMXLPND-UZDQRESMSA-N
XLogP3.82
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

tert-butyl (2R)-2-[(E)-3-[3-[(2,5-dichlorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxoprop-1-enyl]pyrrolidine-1-carboxylate
CID 177231255
(E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one
CID 177230332
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312744
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335752
1,4-dichloro-2-propylbenzene;(Z)-3-[2-methyl-6-methylidene-4-[(E)-3-(1-methylpyrrolidin-2-yl)prop-2-enoyl]piperazin-1-yl]hex-3-en-2-one
CID 177231902
N-(2,5-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152595
N-(2-chlorophenyl)-7-[(E)-4-(dimethylamino)-4-methylpent-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 177231589
N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264300
N-(2,5-dichlorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056580
4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide
CID 43642621
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1Cn2c(C(=O)Nc3cc(Cl)ccc3Cl)cnc2CN1C(=O)/C=C/[C@H]1CCCN1C.
What is the InChIKey of 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?
The InChIKey is DQJSTMCFMXLPND-UZDQRESMSA-N. The full InChI is InChI=1S/C22H25Cl2N5O2/c1-14-12-29-19(22(31)26-18-10-15(23)5-7-17(18)24)11-25-20(29)13-28(14)21(30)8-6-16-4-3-9-27(16)2/h5-8,10-11,14,16H,3-4,9,12-13H2,1-2H3,(H,26,31)/b8-6+/t14?,16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 462.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177230812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).