(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one

C134H183Br2Cl2N25O30S2Si4 — CID 160715664

IUPAC(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one
SMILESCCOC(=O)c1cn(COCC[Si](C)(C)C)nc1Br.CCOC(=O)c1cn(COCC[Si](C)(C)C)nc1C1(O)COC1.CCOC(=O)c1cn(COCC[Si](C)(C)C)nc1C1(OC(=S)SC)COC1.CCOC(=O)c1cn(COCC[Si](C)(C)C)nc1C1COC1.CCOC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C1COC1.CCOC(=O)c1cn[nH]c1Br.CCOC(=O)c1cn[nH]c1C1COC1.ClCc1cn2cc(C3CC3)ccc2n1.NCc1ncn2ccc(Cl)cc12.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C1COC1.O=C1COC1
InChIInChI=1S/C20H22N4O3.C18H18N4O3.C17H28N2O5S2Si.C15H26N2O5Si.C15H26N2O4Si.C12H21BrN2O3Si.C11H11ClN2.C9H12N2O3.C8H8ClN3.C6H7BrN2O2.C3H4O2/c1-2-27-20(25)17-10-24(22-19(17)15-11-26-12-15)9-16-8-23-7-14(13-3-4-13)5-6-18(23)21-16;23-18(24)15-8-22(20-17(15)13-9-25-10-13)7-14-6-21-5-12(11-1-2-11)3-4-16(21)19-14;1-6-23-15(20)13-9-19(12-21-7-8-27(3,4)5)18-14(13)17(10-22-11-17)24-16(25)26-2;1-5-22-14(18)12-8-17(11-20-6-7-23(2,3)4)16-13(12)15(19)9-21-10-15;1-5-21-15(18)13-8-17(11-19-6-7-22(2,3)4)16-14(13)12-9-20-10-12;1-5-18-12(16)10-8-15(14-11(10)13)9-17-6-7-19(2,3)4;12-5-10-7-14-6-9(8-1-2-8)3-4-11(14)13-10;1-2-14-9(12)7-3-10-11-8(7)6-4-13-5-6;9-6-1-2-12-5-11-7(4-10)8(12)3-6;1-2-11-6(10)4-3-8-9-5(4)7;4-3-1-5-2-3/h5-8,10,13,15H,2-4,9,11-12H2,1H3;3-6,8,11,13H,1-2,7,9-10H2,(H,23,24);9H,6-8,10-12H2,1-5H3;8,19H,5-7,9-11H2,1-4H3;8,12H,5-7,9-11H2,1-4H3;8H,5-7,9H2,1-4H3;3-4,6-8H,1-2,5H2;3,6H,2,4-5H2,1H3,(H,10,11);1-3,5H,4,10H2;3H,2H2,1H3,(H,8,9);1-2H2
InChIKeyRSKZNNZUSDMESR-UHFFFAOYSA-N
MW3031.27 g/mol
LogP21.52
Rot. Bonds51

About (7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one

(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one (PubChem CID 160715664) has the molecular formula C134H183Br2Cl2N25O30S2Si4 and a molecular weight of 3031.27 g/mol. Its IUPAC name is (7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one.

Molecular Properties

Compound Name(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one
PubChem CID160715664
Molecular FormulaC134H183Br2Cl2N25O30S2Si4
Molecular Weight3031.27 g/mol
Exact Mass3025.98
IUPAC Name(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one
SMILESCCOC(=O)c1cn(COCC[Si](C)(C)C)nc1Br.CCOC(=O)c1cn(COCC[Si](C)(C)C)nc1C1(O)COC1.CCOC(=O)c1cn(COCC[Si](C)(C)C)nc1C1(OC(=S)SC)COC1.CCOC(=O)c1cn(COCC[Si](C)(C)C)nc1C1COC1.CCOC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C1COC1.CCOC(=O)c1cn[nH]c1Br.CCOC(=O)c1cn[nH]c1C1COC1.ClCc1cn2cc(C3CC3)ccc2n1.NCc1ncn2ccc(Cl)cc12.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C1COC1.O=C1COC1
InChIInChI=1S/C20H22N4O3.C18H18N4O3.C17H28N2O5S2Si.C15H26N2O5Si.C15H26N2O4Si.C12H21BrN2O3Si.C11H11ClN2.C9H12N2O3.C8H8ClN3.C6H7BrN2O2.C3H4O2/c1-2-27-20(25)17-10-24(22-19(17)15-11-26-12-15)9-16-8-23-7-14(13-3-4-13)5-6-18(23)21-16;23-18(24)15-8-22(20-17(15)13-9-25-10-13)7-14-6-21-5-12(11-1-2-11)3-4-16(21)19-14;1-6-23-15(20)13-9-19(12-21-7-8-27(3,4)5)18-14(13)17(10-22-11-17)24-16(25)26-2;1-5-22-14(18)12-8-17(11-20-6-7-23(2,3)4)16-13(12)15(19)9-21-10-15;1-5-21-15(18)13-8-17(11-19-6-7-22(2,3)4)16-14(13)12-9-20-10-12;1-5-18-12(16)10-8-15(14-11(10)13)9-17-6-7-19(2,3)4;12-5-10-7-14-6-9(8-1-2-8)3-4-11(14)13-10;1-2-14-9(12)7-3-10-11-8(7)6-4-13-5-6;9-6-1-2-12-5-11-7(4-10)8(12)3-6;1-2-11-6(10)4-3-8-9-5(4)7;4-3-1-5-2-3/h5-8,10,13,15H,2-4,9,11-12H2,1H3;3-6,8,11,13H,1-2,7,9-10H2,(H,23,24);9H,6-8,10-12H2,1-5H3;8,19H,5-7,9-11H2,1-4H3;8,12H,5-7,9-11H2,1-4H3;8H,5-7,9H2,1-4H3;3-4,6-8H,1-2,5H2;3,6H,2,4-5H2,1H3,(H,10,11);1-3,5H,4,10H2;3H,2H2,1H3,(H,8,9);1-2H2
InChIKeyRSKZNNZUSDMESR-UHFFFAOYSA-N
XLogP21.52
TPSA628.96 Ų
H-Bond Donors5
H-Bond Acceptors54
Rotatable Bonds51
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003031.27
LogP ≤ 521.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1054

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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one with MolForge

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Launch Full Analysis

Related Compounds

lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one
CID 157385365
3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazol-4-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate
CID 159117414
3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;ethyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;ethyl 1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydrochloride
CID 161432848
3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;ethyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;ethyl 1-[[6-cyclopropyl-8-(oxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;methane;hydrochloride
CID 161726264

Frequently Asked Questions

What is the IUPAC name of (7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one?
The IUPAC name of (7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one (CID 160715664) is (7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one.
What is the SMILES notation for (7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one?
The canonical SMILES for (7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one is CCOC(=O)c1cn(COCC[Si](C)(C)C)nc1Br.CCOC(=O)c1cn(COCC[Si](C)(C)C)nc1C1(O)COC1.CCOC(=O)c1cn(COCC[Si](C)(C)C)nc1C1(OC(=S)SC)COC1.CCOC(=O)c1cn(COCC[Si](C)(C)C)nc1C1COC1.CCOC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C1COC1.CCOC(=O)c1cn[nH]c1Br.CCOC(=O)c1cn[nH]c1C1COC1.ClCc1cn2cc(C3CC3)ccc2n1.NCc1ncn2ccc(Cl)cc12.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C1COC1.O=C1COC1.
What is the InChIKey of (7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one?
The InChIKey is RSKZNNZUSDMESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3.C18H18N4O3.C17H28N2O5S2Si.C15H26N2O5Si.C15H26N2O4Si.C12H21BrN2O3Si.C11H11ClN2.C9H12N2O3.C8H8ClN3.C6H7BrN2O2.C3H4O2/c1-2-27-20(25)17-10-24(22-19(17)15-11-26-12-15)9-16-8-23-7-14(13-3-4-13)5-6-18(23)21-16;23-18(24)15-8-22(20-17(15)13-9-25-10-13)7-14-6-21-5-12(11-1-2-11)3-4-16(21)19-14;1-6-23-15(20)13-9-19(12-21-7-8-27(3,4)5)18-14(13)17(10-22-11-17)24-16(25)26-2;1-5-22-14(18)12-8-17(11-20-6-7-23(2,3)4)16-13(12)15(19)9-21-10-15;1-5-21-15(18)13-8-17(11-19-6-7-22(2,3)4)16-14(13)12-9-20-10-12;1-5-18-12(16)10-8-15(14-11(10)13)9-17-6-7-19(2,3)4;12-5-10-7-14-6-9(8-1-2-8)3-4-11(14)13-10;1-2-14-9(12)7-3-10-11-8(7)6-4-13-5-6;9-6-1-2-12-5-11-7(4-10)8(12)3-6;1-2-11-6(10)4-3-8-9-5(4)7;4-3-1-5-2-3/h5-8,10,13,15H,2-4,9,11-12H2,1H3;3-6,8,11,13H,1-2,7,9-10H2,(H,23,24);9H,6-8,10-12H2,1-5H3;8,19H,5-7,9-11H2,1-4H3;8,12H,5-7,9-11H2,1-4H3;8H,5-7,9H2,1-4H3;3-4,6-8H,1-2,5H2;3,6H,2,4-5H2,1H3,(H,10,11);1-3,5H,4,10H2;3H,2H2,1H3,(H,8,9);1-2H2.
What are the key properties of (7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one?
(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one has a molecular weight of 3031.27 g/mol, XLogP of 21.52, 51 rotatable bonds, 5 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylic acid;ethyl 5-bromo-1H-pyrazole-4-carboxylate;ethyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(oxetan-3-yl)pyrazole-4-carboxylate;ethyl 3-(3-hydroxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 3-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;ethyl 5-(oxetan-3-yl)-1H-pyrazole-4-carboxylate;ethyl 3-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;oxetan-3-one is sourced from PubChem (CID 160715664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).