2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate

C42H45Cl3N10O4 — CID 159855238

IUPAC2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2.CCOC(=O)c1cn2c(n1)CNCC2.Cc1cnc(-c2cc(Cl)ncc2Cl)c(C)c1
InChIInChI=1S/C21H22ClN5O2.C12H10Cl2N2.C9H13N3O2/c1-4-29-21(28)17-11-26-5-6-27(12-19(26)25-17)18-8-15(16(22)10-23-18)20-14(3)7-13(2)9-24-20;1-7-3-8(2)12(16-5-7)9-4-11(14)15-6-10(9)13;1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7/h7-11H,4-6,12H2,1-3H3;3-6H,1-2H3;6,10H,2-5H2,1H3
InChIKeyNQLDPYFCAFFTHP-UHFFFAOYSA-N
MW860.25 g/mol
LogP8.04
Rot. Bonds7

About 2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate

2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 159855238) has the molecular formula C42H45Cl3N10O4 and a molecular weight of 860.25 g/mol. Its IUPAC name is 2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Name2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID159855238
Molecular FormulaC42H45Cl3N10O4
Molecular Weight860.25 g/mol
Exact Mass858.27
IUPAC Name2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2.CCOC(=O)c1cn2c(n1)CNCC2.Cc1cnc(-c2cc(Cl)ncc2Cl)c(C)c1
InChIInChI=1S/C21H22ClN5O2.C12H10Cl2N2.C9H13N3O2/c1-4-29-21(28)17-11-26-5-6-27(12-19(26)25-17)18-8-15(16(22)10-23-18)20-14(3)7-13(2)9-24-20;1-7-3-8(2)12(16-5-7)9-4-11(14)15-6-10(9)13;1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7/h7-11H,4-6,12H2,1-3H3;3-6H,1-2H3;6,10H,2-5H2,1H3
InChIKeyNQLDPYFCAFFTHP-UHFFFAOYSA-N
XLogP8.04
TPSA155.07 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500860.25
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate 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

ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
CID 90299647
[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 90656293
propan-2-yl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
CID 90656302
cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
CID 90656303
cyclopentyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
CID 90656304
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 90286388
Ethyl 6-(2-chloro-4-pyridinyl)-8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate
CID 164945314
Methyl 3-(3-chloro-2-fluoro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylate
CID 166485056
8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 172966841
Methyl 5-((4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridin-2-yl)amino)pyrazine-2-carboxylate
CID 59176961
[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one
CID 90910914
Ethyl 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 122478394

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of 2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate (CID 159855238) is 2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for 2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for 2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2.CCOC(=O)c1cn2c(n1)CNCC2.Cc1cnc(-c2cc(Cl)ncc2Cl)c(C)c1.
What is the InChIKey of 2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is NQLDPYFCAFFTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2.C12H10Cl2N2.C9H13N3O2/c1-4-29-21(28)17-11-26-5-6-27(12-19(26)25-17)18-8-15(16(22)10-23-18)20-14(3)7-13(2)9-24-20;1-7-3-8(2)12(16-5-7)9-4-11(14)15-6-10(9)13;1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7/h7-11H,4-6,12H2,1-3H3;3-6H,1-2H3;6,10H,2-5H2,1H3.
What are the key properties of 2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate?
2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 860.25 g/mol, XLogP of 8.04, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 159855238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).