(7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride

C130H185Cl4IN24O25 — CID 158256737

IUPAC(7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride
SMILESC.C1CCOC1.C=Cc1ccc(C(=O)OC)cn1.CN1CCC2CCC(C(=O)CCc3nccnc3Cl)CN2C1=O.CN1CCC2CCC(C(=O)O)CN2C1=O.CN1CCC2CC[C@@H](c3ncc4c(Cl)nccn34)CN2C1=O.CN1CCN(C)C1=O.COC(=O)C1CCC(CCNCc2ccc(OC)cc2OC)NC1.COC(=O)C1CCC2CCN(Cc3ccc(OC)cc3OC)C(=O)N2C1.COC(=O)c1ccc(CCNCc2ccc(OC)cc2OC)nc1.COc1ccc(CN)c(OC)c1.Cl.NCc1nccnc1Cl.[2H]CI
InChIInChI=1S/C19H26N2O5.C18H28N2O4.C18H22N2O4.C16H21ClN4O2.C15H18ClN5O.C10H16N2O3.C9H13NO2.C9H9NO2.C5H6ClN3.C5H10N2O.C4H8O.CH3I.CH4.ClH/c1-24-16-7-5-13(17(10-16)25-2)11-20-9-8-15-6-4-14(18(22)26-3)12-21(15)19(20)23;2*1-22-16-7-5-13(17(10-16)23-2)11-19-9-8-15-6-4-14(12-20-15)18(21)24-3;1-20-9-6-12-3-2-11(10-21(12)16(20)23)14(22)5-4-13-15(17)19-8-7-18-13;1-19-6-4-11-3-2-10(9-21(11)15(19)22)14-18-8-12-13(16)17-5-7-20(12)14;1-11-5-4-8-3-2-7(9(13)14)6-12(8)10(11)15;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-8-5-4-7(6-10-8)9(11)12-2;6-5-4(3-7)8-1-2-9-5;1-6-3-4-7(2)5(6)8;1-2-4-5-3-1;1-2;;/h5,7,10,14-15H,4,6,8-9,11-12H2,1-3H3;5,7,10,14-15,19-20H,4,6,8-9,11-12H2,1-3H3;4-7,10,12,19H,8-9,11H2,1-3H3;7-8,11-12H,2-6,9-10H2,1H3;5,7-8,10-11H,2-4,6,9H2,1H3;7-8H,2-6H2,1H3,(H,13,14);3-5H,6,10H2,1-2H3;3-6H,1H2,2H3;1-2H,3,7H2;3-4H2,1-2H3;1-4H2;1H3;1H4;1H/t;;;;10-,11?;;;;;;;;;/m....1........./s1/i;;;;;;;;;;;1D;;
InChIKeyUTXSGUZCIDOFGM-CDDFGBORSA-N
MW2753.78 g/mol
LogP17.54
Rot. Bonds33

About (7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride

(7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride (PubChem CID 158256737) has the molecular formula C130H185Cl4IN24O25 and a molecular weight of 2753.78 g/mol. Its IUPAC name is (7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride.

Molecular Properties

Compound Name(7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride
PubChem CID158256737
Molecular FormulaC130H185Cl4IN24O25
Molecular Weight2753.78 g/mol
Exact Mass2750.18
IUPAC Name(7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride
SMILESC.C1CCOC1.C=Cc1ccc(C(=O)OC)cn1.CN1CCC2CCC(C(=O)CCc3nccnc3Cl)CN2C1=O.CN1CCC2CCC(C(=O)O)CN2C1=O.CN1CCC2CC[C@@H](c3ncc4c(Cl)nccn34)CN2C1=O.CN1CCN(C)C1=O.COC(=O)C1CCC(CCNCc2ccc(OC)cc2OC)NC1.COC(=O)C1CCC2CCN(Cc3ccc(OC)cc3OC)C(=O)N2C1.COC(=O)c1ccc(CCNCc2ccc(OC)cc2OC)nc1.COc1ccc(CN)c(OC)c1.Cl.NCc1nccnc1Cl.[2H]CI
InChIInChI=1S/C19H26N2O5.C18H28N2O4.C18H22N2O4.C16H21ClN4O2.C15H18ClN5O.C10H16N2O3.C9H13NO2.C9H9NO2.C5H6ClN3.C5H10N2O.C4H8O.CH3I.CH4.ClH/c1-24-16-7-5-13(17(10-16)25-2)11-20-9-8-15-6-4-14(18(22)26-3)12-21(15)19(20)23;2*1-22-16-7-5-13(17(10-16)23-2)11-19-9-8-15-6-4-14(12-20-15)18(21)24-3;1-20-9-6-12-3-2-11(10-21(12)16(20)23)14(22)5-4-13-15(17)19-8-7-18-13;1-19-6-4-11-3-2-10(9-21(11)15(19)22)14-18-8-12-13(16)17-5-7-20(12)14;1-11-5-4-8-3-2-7(9(13)14)6-12(8)10(11)15;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-8-5-4-7(6-10-8)9(11)12-2;6-5-4(3-7)8-1-2-9-5;1-6-3-4-7(2)5(6)8;1-2-4-5-3-1;1-2;;/h5,7,10,14-15H,4,6,8-9,11-12H2,1-3H3;5,7,10,14-15,19-20H,4,6,8-9,11-12H2,1-3H3;4-7,10,12,19H,8-9,11H2,1-3H3;7-8,11-12H,2-6,9-10H2,1H3;5,7-8,10-11H,2-4,6,9H2,1H3;7-8H,2-6H2,1H3,(H,13,14);3-5H,6,10H2,1-2H3;3-6H,1H2,2H3;1-2H,3,7H2;3-4H2,1-2H3;1-4H2;1H3;1H4;1H/t;;;;10-,11?;;;;;;;;;/m....1........./s1/i;;;;;;;;;;;1D;;
InChIKeyUTXSGUZCIDOFGM-CDDFGBORSA-N
XLogP17.54
TPSA556.05 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds33
Heavy Atoms184
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002753.78
LogP ≤ 517.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride?
The IUPAC name of (7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride (CID 158256737) is (7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride.
What is the SMILES notation for (7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride?
The canonical SMILES for (7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride is C.C1CCOC1.C=Cc1ccc(C(=O)OC)cn1.CN1CCC2CCC(C(=O)CCc3nccnc3Cl)CN2C1=O.CN1CCC2CCC(C(=O)O)CN2C1=O.CN1CCC2CC[C@@H](c3ncc4c(Cl)nccn34)CN2C1=O.CN1CCN(C)C1=O.COC(=O)C1CCC(CCNCc2ccc(OC)cc2OC)NC1.COC(=O)C1CCC2CCN(Cc3ccc(OC)cc3OC)C(=O)N2C1.COC(=O)c1ccc(CCNCc2ccc(OC)cc2OC)nc1.COc1ccc(CN)c(OC)c1.Cl.NCc1nccnc1Cl.[2H]CI.
What is the InChIKey of (7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride?
The InChIKey is UTXSGUZCIDOFGM-CDDFGBORSA-N. The full InChI is InChI=1S/C19H26N2O5.C18H28N2O4.C18H22N2O4.C16H21ClN4O2.C15H18ClN5O.C10H16N2O3.C9H13NO2.C9H9NO2.C5H6ClN3.C5H10N2O.C4H8O.CH3I.CH4.ClH/c1-24-16-7-5-13(17(10-16)25-2)11-20-9-8-15-6-4-14(18(22)26-3)12-21(15)19(20)23;2*1-22-16-7-5-13(17(10-16)23-2)11-19-9-8-15-6-4-14(12-20-15)18(21)24-3;1-20-9-6-12-3-2-11(10-21(12)16(20)23)14(22)5-4-13-15(17)19-8-7-18-13;1-19-6-4-11-3-2-10(9-21(11)15(19)22)14-18-8-12-13(16)17-5-7-20(12)14;1-11-5-4-8-3-2-7(9(13)14)6-12(8)10(11)15;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-8-5-4-7(6-10-8)9(11)12-2;6-5-4(3-7)8-1-2-9-5;1-6-3-4-7(2)5(6)8;1-2-4-5-3-1;1-2;;/h5,7,10,14-15H,4,6,8-9,11-12H2,1-3H3;5,7,10,14-15,19-20H,4,6,8-9,11-12H2,1-3H3;4-7,10,12,19H,8-9,11H2,1-3H3;7-8,11-12H,2-6,9-10H2,1H3;5,7-8,10-11H,2-4,6,9H2,1H3;7-8H,2-6H2,1H3,(H,13,14);3-5H,6,10H2,1-2H3;3-6H,1H2,2H3;1-2H,3,7H2;3-4H2,1-2H3;1-4H2;1H3;1H4;1H/t;;;;10-,11?;;;;;;;;;/m....1........./s1/i;;;;;;;;;;;1D;;.
What are the key properties of (7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride?
(7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride has a molecular weight of 2753.78 g/mol, XLogP of 17.54, 33 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride is sourced from PubChem (CID 158256737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).