5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate

C175H187Br5F5N33O20 — CID 164992632

IUPAC5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate
SMILESCCOC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C)cc3CN(C(=O)OC(C)(C)C)C3CC3)c12.CCOC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C)cc3CNC3CC3)c12.CCc1ncn2c(CCc3c(F)ccc4c3CCO4)ncc(Br)c12.Cc1cc(C=O)c(Br)cn1.Cc1cc(CCC2CC2)c(Br)cn1.Cc1cc(CN(C(=O)OC(C)(C)C)C2CC2)c(Br)cn1.Cc1cc(CNC2CC2)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C(=O)O)c23)cn1.Cc1cc(CO)c(Br)cn1.Cc1cc2c(cn1)-c1cnc(NCc3c(F)ccc4c3CCO4)n3cnc(c13)C(=O)N(C1CC1)C2.NC1CC1.O=C=O
InChIInChI=1S/C33H37FN6O5.C28H29FN6O3.C26H25FN6O3.C26H23FN6O2.C18H17BrFN3O.C15H21BrN2O2.C11H14BrN.C7H8BrNO.C7H6BrNO.C3H7N.CO2/c1-6-43-30(41)28-29-25(23-14-35-19(2)13-20(23)17-39(21-7-8-21)32(42)45-33(3,4)5)16-37-31(40(29)18-38-28)36-15-24-22-11-12-44-27(22)10-9-26(24)34;1-3-37-27(36)25-26-22(20-12-30-16(2)10-17(20)11-31-18-4-5-18)14-33-28(35(26)15-34-25)32-13-21-19-8-9-38-24(19)7-6-23(21)29;1-14-8-15(9-29-16-2-3-16)18(10-28-14)20-12-31-26(33-13-32-23(24(20)33)25(34)35)30-11-19-17-6-7-36-22(17)5-4-21(19)27;1-14-8-15-12-32(16-2-3-16)25(34)23-24-20(18(15)9-28-14)11-30-26(33(24)13-31-23)29-10-19-17-6-7-35-22(17)5-4-21(19)27;1-2-15-18-13(19)9-21-17(23(18)10-22-15)6-3-11-12-7-8-24-16(12)5-4-14(11)20;1-10-7-11(13(16)8-17-10)9-18(12-5-6-12)14(19)20-15(2,3)4;1-8-6-10(11(12)7-13-8)5-4-9-2-3-9;2*1-5-2-6(4-10)7(8)3-9-5;4-3-1-2-3;2-1-3/h9-10,13-14,16,18,21H,6-8,11-12,15,17H2,1-5H3,(H,36,37);6-7,10,12,14-15,18,31H,3-5,8-9,11,13H2,1-2H3,(H,32,33);4-5,8,10,12-13,16,29H,2-3,6-7,9,11H2,1H3,(H,30,31)(H,34,35);4-5,8-9,11,13,16H,2-3,6-7,10,12H2,1H3,(H,29,30);4-5,9-10H,2-3,6-8H2,1H3;7-8,12H,5-6,9H2,1-4H3;6-7,9H,2-5H2,1H3;2-3,10H,4H2,1H3;2-4H,1H3;3H,1-2,4H2;
InChIKeyHBTLBCIVGCSODS-UHFFFAOYSA-N
MW3567.14 g/mol
LogP32.31
Rot. Bonds42

About 5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate

5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate (PubChem CID 164992632) has the molecular formula C175H187Br5F5N33O20 and a molecular weight of 3567.14 g/mol. Its IUPAC name is 5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate.

Molecular Properties

Compound Name5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate
PubChem CID164992632
Molecular FormulaC175H187Br5F5N33O20
Molecular Weight3567.14 g/mol
Exact Mass3560.05
IUPAC Name5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate
SMILESCCOC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C)cc3CN(C(=O)OC(C)(C)C)C3CC3)c12.CCOC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C)cc3CNC3CC3)c12.CCc1ncn2c(CCc3c(F)ccc4c3CCO4)ncc(Br)c12.Cc1cc(C=O)c(Br)cn1.Cc1cc(CCC2CC2)c(Br)cn1.Cc1cc(CN(C(=O)OC(C)(C)C)C2CC2)c(Br)cn1.Cc1cc(CNC2CC2)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C(=O)O)c23)cn1.Cc1cc(CO)c(Br)cn1.Cc1cc2c(cn1)-c1cnc(NCc3c(F)ccc4c3CCO4)n3cnc(c13)C(=O)N(C1CC1)C2.NC1CC1.O=C=O
InChIInChI=1S/C33H37FN6O5.C28H29FN6O3.C26H25FN6O3.C26H23FN6O2.C18H17BrFN3O.C15H21BrN2O2.C11H14BrN.C7H8BrNO.C7H6BrNO.C3H7N.CO2/c1-6-43-30(41)28-29-25(23-14-35-19(2)13-20(23)17-39(21-7-8-21)32(42)45-33(3,4)5)16-37-31(40(29)18-38-28)36-15-24-22-11-12-44-27(22)10-9-26(24)34;1-3-37-27(36)25-26-22(20-12-30-16(2)10-17(20)11-31-18-4-5-18)14-33-28(35(26)15-34-25)32-13-21-19-8-9-38-24(19)7-6-23(21)29;1-14-8-15(9-29-16-2-3-16)18(10-28-14)20-12-31-26(33-13-32-23(24(20)33)25(34)35)30-11-19-17-6-7-36-22(17)5-4-21(19)27;1-14-8-15-12-32(16-2-3-16)25(34)23-24-20(18(15)9-28-14)11-30-26(33(24)13-31-23)29-10-19-17-6-7-35-22(17)5-4-21(19)27;1-2-15-18-13(19)9-21-17(23(18)10-22-15)6-3-11-12-7-8-24-16(12)5-4-14(11)20;1-10-7-11(13(16)8-17-10)9-18(12-5-6-12)14(19)20-15(2,3)4;1-8-6-10(11(12)7-13-8)5-4-9-2-3-9;2*1-5-2-6(4-10)7(8)3-9-5;4-3-1-2-3;2-1-3/h9-10,13-14,16,18,21H,6-8,11-12,15,17H2,1-5H3,(H,36,37);6-7,10,12,14-15,18,31H,3-5,8-9,11,13H2,1-2H3,(H,32,33);4-5,8,10,12-13,16,29H,2-3,6-7,9,11H2,1H3,(H,30,31)(H,34,35);4-5,8-9,11,13,16H,2-3,6-7,10,12H2,1H3,(H,29,30);4-5,9-10H,2-3,6-8H2,1H3;7-8,12H,5-6,9H2,1-4H3;6-7,9H,2-5H2,1H3;2-3,10H,4H2,1H3;2-4H,1H3;3H,1-2,4H2;
InChIKeyHBTLBCIVGCSODS-UHFFFAOYSA-N
XLogP32.31
TPSA639.15 Ų
H-Bond Donors9
H-Bond Acceptors49
Rotatable Bonds42
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003567.14
LogP ≤ 532.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate?
The IUPAC name of 5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate (CID 164992632) is 5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate.
What is the SMILES notation for 5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate?
The canonical SMILES for 5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate is CCOC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C)cc3CN(C(=O)OC(C)(C)C)C3CC3)c12.CCOC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C)cc3CNC3CC3)c12.CCc1ncn2c(CCc3c(F)ccc4c3CCO4)ncc(Br)c12.Cc1cc(C=O)c(Br)cn1.Cc1cc(CCC2CC2)c(Br)cn1.Cc1cc(CN(C(=O)OC(C)(C)C)C2CC2)c(Br)cn1.Cc1cc(CNC2CC2)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C(=O)O)c23)cn1.Cc1cc(CO)c(Br)cn1.Cc1cc2c(cn1)-c1cnc(NCc3c(F)ccc4c3CCO4)n3cnc(c13)C(=O)N(C1CC1)C2.NC1CC1.O=C=O.
What is the InChIKey of 5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate?
The InChIKey is HBTLBCIVGCSODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN6O5.C28H29FN6O3.C26H25FN6O3.C26H23FN6O2.C18H17BrFN3O.C15H21BrN2O2.C11H14BrN.C7H8BrNO.C7H6BrNO.C3H7N.CO2/c1-6-43-30(41)28-29-25(23-14-35-19(2)13-20(23)17-39(21-7-8-21)32(42)45-33(3,4)5)16-37-31(40(29)18-38-28)36-15-24-22-11-12-44-27(22)10-9-26(24)34;1-3-37-27(36)25-26-22(20-12-30-16(2)10-17(20)11-31-18-4-5-18)14-33-28(35(26)15-34-25)32-13-21-19-8-9-38-24(19)7-6-23(21)29;1-14-8-15(9-29-16-2-3-16)18(10-28-14)20-12-31-26(33-13-32-23(24(20)33)25(34)35)30-11-19-17-6-7-36-22(17)5-4-21(19)27;1-14-8-15-12-32(16-2-3-16)25(34)23-24-20(18(15)9-28-14)11-30-26(33(24)13-31-23)29-10-19-17-6-7-35-22(17)5-4-21(19)27;1-2-15-18-13(19)9-21-17(23(18)10-22-15)6-3-11-12-7-8-24-16(12)5-4-14(11)20;1-10-7-11(13(16)8-17-10)9-18(12-5-6-12)14(19)20-15(2,3)4;1-8-6-10(11(12)7-13-8)5-4-9-2-3-9;2*1-5-2-6(4-10)7(8)3-9-5;4-3-1-2-3;2-1-3/h9-10,13-14,16,18,21H,6-8,11-12,15,17H2,1-5H3,(H,36,37);6-7,10,12,14-15,18,31H,3-5,8-9,11,13H2,1-2H3,(H,32,33);4-5,8,10,12-13,16,29H,2-3,6-7,9,11H2,1H3,(H,30,31)(H,34,35);4-5,8-9,11,13,16H,2-3,6-7,10,12H2,1H3,(H,29,30);4-5,9-10H,2-3,6-8H2,1H3;7-8,12H,5-6,9H2,1-4H3;6-7,9H,2-5H2,1H3;2-3,10H,4H2,1H3;2-4H,1H3;3H,1-2,4H2;.
What are the key properties of 5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate?
5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate has a molecular weight of 3567.14 g/mol, XLogP of 32.31, 42 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-cyclopropylethyl)-2-methylpyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;5-bromo-2-methylpyridine-4-carbaldehyde;(5-bromo-2-methyl-4-pyridinyl)methanol;tert-butyl N-[(5-bromo-2-methyl-4-pyridinyl)methyl]-N-cyclopropylcarbamate;carbon dioxide;cyclopropanamine;8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;9-cyclopropyl-15-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-methyl-4,9,12,14,16-pentazatetracyclo[9.6.1.02,7.014,18]octadeca-1(17),2(7),3,5,11(18),12,15-heptaen-10-one;ethyl 8-[4-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;ethyl 8-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate is sourced from PubChem (CID 164992632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).