1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C167H198BBr3F2IN31O16 — CID 162041670

IUPAC1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESC.C=O.CC.CC(C)(C)OC(=O)NC1CCN(c2cc(C(=O)Cc3cc4cc(Br)ccc4cn3)ccn2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CCC(C)I.CN(C)C1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCC(N)CC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCC(NC(=O)OC(C)(C)C)CC5)c4)cc3c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1cc2cc(Br)ccc2cn1.O=C(Cc1cc2cc(Br)ccc2cn1)c1ccnc(F)c1.O=C(O)c1ccnc(F)c1
InChIInChI=1S/C30H34N6O3.C27H30N6O.C26H29BrN4O3.C25H26N6O.C16H10BrFN2O.C10H17BN2O2.C10H20N2O2.C9H7BrN2.C6H4FNO2.C4H9I.C2H6.CH2O.CH4/c1-30(2,3)39-29(38)34-25-8-11-36(12-9-25)28-15-21(7-10-31-28)27(37)16-26-14-23-13-20(5-6-22(23)17-32-26)24-18-33-35(4)19-24;1-31(2)25-7-10-33(11-8-25)27-14-20(6-9-28-27)26(34)15-24-13-22-12-19(4-5-21(22)16-29-24)23-17-30-32(3)18-23;1-26(2,3)34-25(33)30-21-7-10-31(11-8-21)24-14-17(6-9-28-24)23(32)15-22-13-19-12-20(27)5-4-18(19)16-29-22;1-30-16-21(15-29-30)17-2-3-19-14-28-23(11-20(19)10-17)13-24(32)18-4-7-27-25(12-18)31-8-5-22(26)6-9-31;17-13-2-1-11-9-20-14(6-12(11)5-13)8-15(21)10-3-4-19-16(18)7-10;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;10-8-2-1-6-5-12-9(11)4-7(6)3-8;7-5-3-4(6(9)10)1-2-8-5;1-3-4(2)5;2*1-2;/h5-7,10,13-15,17-19,25H,8-9,11-12,16H2,1-4H3,(H,34,38);4-6,9,12-14,16-18,25H,7-8,10-11,15H2,1-3H3;4-6,9,12-14,16,21H,7-8,10-11,15H2,1-3H3,(H,30,33);2-4,7,10-12,14-16,22H,5-6,8-9,13,26H2,1H3;1-7,9H,8H2;6-7H,1-5H3;8,11H,4-7H2,1-3H3,(H,12,13);1-5H,(H2,11,12);1-3H,(H,9,10);4H,3H2,1-2H3;1-2H3;1H2;1H4
InChIKeyYXIZCTPRBPDLAW-UHFFFAOYSA-N
MW3311.05 g/mol
LogP30.76
Rot. Bonds29

About 1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 162041670) has the molecular formula C167H198BBr3F2IN31O16 and a molecular weight of 3311.05 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
PubChem CID162041670
Molecular FormulaC167H198BBr3F2IN31O16
Molecular Weight3311.05 g/mol
Exact Mass3306.23
IUPAC Name1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESC.C=O.CC.CC(C)(C)OC(=O)NC1CCN(c2cc(C(=O)Cc3cc4cc(Br)ccc4cn3)ccn2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CCC(C)I.CN(C)C1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCC(N)CC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCC(NC(=O)OC(C)(C)C)CC5)c4)cc3c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1cc2cc(Br)ccc2cn1.O=C(Cc1cc2cc(Br)ccc2cn1)c1ccnc(F)c1.O=C(O)c1ccnc(F)c1
InChIInChI=1S/C30H34N6O3.C27H30N6O.C26H29BrN4O3.C25H26N6O.C16H10BrFN2O.C10H17BN2O2.C10H20N2O2.C9H7BrN2.C6H4FNO2.C4H9I.C2H6.CH2O.CH4/c1-30(2,3)39-29(38)34-25-8-11-36(12-9-25)28-15-21(7-10-31-28)27(37)16-26-14-23-13-20(5-6-22(23)17-32-26)24-18-33-35(4)19-24;1-31(2)25-7-10-33(11-8-25)27-14-20(6-9-28-27)26(34)15-24-13-22-12-19(4-5-21(22)16-29-24)23-17-30-32(3)18-23;1-26(2,3)34-25(33)30-21-7-10-31(11-8-21)24-14-17(6-9-28-24)23(32)15-22-13-19-12-20(27)5-4-18(19)16-29-22;1-30-16-21(15-29-30)17-2-3-19-14-28-23(11-20(19)10-17)13-24(32)18-4-7-27-25(12-18)31-8-5-22(26)6-9-31;17-13-2-1-11-9-20-14(6-12(11)5-13)8-15(21)10-3-4-19-16(18)7-10;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;10-8-2-1-6-5-12-9(11)4-7(6)3-8;7-5-3-4(6(9)10)1-2-8-5;1-3-4(2)5;2*1-2;/h5-7,10,13-15,17-19,25H,8-9,11-12,16H2,1-4H3,(H,34,38);4-6,9,12-14,16-18,25H,7-8,10-11,15H2,1-3H3;4-6,9,12-14,16,21H,7-8,10-11,15H2,1-3H3,(H,30,33);2-4,7,10-12,14-16,22H,5-6,8-9,13,26H2,1H3;1-7,9H,8H2;6-7H,1-5H3;8,11H,4-7H2,1-3H3,(H,12,13);1-5H,(H2,11,12);1-3H,(H,9,10);4H,3H2,1-2H3;1-2H3;1H2;1H4
InChIKeyYXIZCTPRBPDLAW-UHFFFAOYSA-N
XLogP30.76
TPSA579.40 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds29
Heavy Atoms221
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003311.05
LogP ≤ 530.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 162041670) is 1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is C.C=O.CC.CC(C)(C)OC(=O)NC1CCN(c2cc(C(=O)Cc3cc4cc(Br)ccc4cn3)ccn2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CCC(C)I.CN(C)C1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCC(N)CC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCC(NC(=O)OC(C)(C)C)CC5)c4)cc3c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1cc2cc(Br)ccc2cn1.O=C(Cc1cc2cc(Br)ccc2cn1)c1ccnc(F)c1.O=C(O)c1ccnc(F)c1.
What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The InChIKey is YXIZCTPRBPDLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O3.C27H30N6O.C26H29BrN4O3.C25H26N6O.C16H10BrFN2O.C10H17BN2O2.C10H20N2O2.C9H7BrN2.C6H4FNO2.C4H9I.C2H6.CH2O.CH4/c1-30(2,3)39-29(38)34-25-8-11-36(12-9-25)28-15-21(7-10-31-28)27(37)16-26-14-23-13-20(5-6-22(23)17-32-26)24-18-33-35(4)19-24;1-31(2)25-7-10-33(11-8-25)27-14-20(6-9-28-27)26(34)15-24-13-22-12-19(4-5-21(22)16-29-24)23-17-30-32(3)18-23;1-26(2,3)34-25(33)30-21-7-10-31(11-8-21)24-14-17(6-9-28-24)23(32)15-22-13-19-12-20(27)5-4-18(19)16-29-22;1-30-16-21(15-29-30)17-2-3-19-14-28-23(11-20(19)10-17)13-24(32)18-4-7-27-25(12-18)31-8-5-22(26)6-9-31;17-13-2-1-11-9-20-14(6-12(11)5-13)8-15(21)10-3-4-19-16(18)7-10;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;10-8-2-1-6-5-12-9(11)4-7(6)3-8;7-5-3-4(6(9)10)1-2-8-5;1-3-4(2)5;2*1-2;/h5-7,10,13-15,17-19,25H,8-9,11-12,16H2,1-4H3,(H,34,38);4-6,9,12-14,16-18,25H,7-8,10-11,15H2,1-3H3;4-6,9,12-14,16,21H,7-8,10-11,15H2,1-3H3,(H,30,33);2-4,7,10-12,14-16,22H,5-6,8-9,13,26H2,1H3;1-7,9H,8H2;6-7H,1-5H3;8,11H,4-7H2,1-3H3,(H,12,13);1-5H,(H2,11,12);1-3H,(H,9,10);4H,3H2,1-2H3;1-2H3;1H2;1H4.
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 3311.05 g/mol, XLogP of 30.76, 29 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-(2-fluoro-4-pyridinyl)ethanone;tert-butyl N-[1-[4-[2-(6-bromoisoquinolin-3-yl)acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;ethane;2-fluoropyridine-4-carboxylic acid;formaldehyde;2-iodobutane;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 162041670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).