3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

C151H165F8N33O12S5 — CID 167549783

IUPAC3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESCCn1ccc2cc(C(=O)N[C@H]3COc4cc(N5CC6CCCC(C5)N6)ccc4C3)nnc21.CCn1ccc2cc(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)nnc21.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4c(C#N)c(N5CCN(C)CC5)cc(F)c4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CCN(C)CC5)c(C#N)c(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(C5CC6CCCC(C5)C6(F)F)c(C#N)cc4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)c(N)c2s1
InChIInChI=1S/C28H28F2N4O2S.C25H28F2N6O2.2C25H27FN6O2S.C25H30N6O2.C23H25F2N5O2S2/c1-14-5-6-21-24(32)25(37-27(21)33-14)26(35)34-20-10-16-7-17(12-31)22(11-23(16)36-13-20)15-8-18-3-2-4-19(9-15)28(18,29)30;1-2-32-6-5-16-8-21(30-31-23(16)32)24(34)29-19-7-15-3-4-20(9-22(15)35-14-19)33-12-17-10-28-11-18(13-33)25(17,26)27;1-13-8-14(2)29-25-20(13)22(28)23(35-25)24(33)30-15-9-16-19(34-12-15)10-18(17(11-27)21(16)26)32-6-4-31(3)5-7-32;1-13-8-14(2)29-25-20(13)21(28)23(35-25)24(33)30-15-9-16-18(26)10-19(17(11-27)22(16)34-12-15)32-6-4-31(3)5-7-32;1-2-30-9-8-17-11-22(28-29-24(17)30)25(32)27-20-10-16-6-7-21(12-23(16)33-15-20)31-13-18-4-3-5-19(14-31)26-18;1-11-28-22-20(33-11)18(26)19(34-22)21(31)29-15-4-12-2-3-16(5-17(12)32-10-15)30-8-13-6-27-7-14(9-30)23(13,24)25/h5-7,11,15,18-20H,2-4,8-10,13,32H2,1H3,(H,34,35);3-6,8-9,17-19,28H,2,7,10-14H2,1H3,(H,29,34);2*8,10,15H,4-7,9,12,28H2,1-3H3,(H,30,33);6-9,11-12,18-20,26H,2-5,10,13-15H2,1H3,(H,27,32);2-3,5,13-15,27H,4,6-10,26H2,1H3,(H,29,31)/t15?,18?,19?,20-;17?,18?,19-;2*15-;18?,19?,20-;13?,14?,15-/m111111/s1
InChIKeyCGGGWZJXNKYCQS-YQCFKKEXSA-N
MW2946.52 g/mol
LogP19.97
Rot. Bonds20

About 3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 167549783) has the molecular formula C151H165F8N33O12S5 and a molecular weight of 2946.52 g/mol. Its IUPAC name is 3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
PubChem CID167549783
Molecular FormulaC151H165F8N33O12S5
Molecular Weight2946.52 g/mol
Exact Mass2944.18
IUPAC Name3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESCCn1ccc2cc(C(=O)N[C@H]3COc4cc(N5CC6CCCC(C5)N6)ccc4C3)nnc21.CCn1ccc2cc(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)nnc21.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4c(C#N)c(N5CCN(C)CC5)cc(F)c4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CCN(C)CC5)c(C#N)c(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(C5CC6CCCC(C5)C6(F)F)c(C#N)cc4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)c(N)c2s1
InChIInChI=1S/C28H28F2N4O2S.C25H28F2N6O2.2C25H27FN6O2S.C25H30N6O2.C23H25F2N5O2S2/c1-14-5-6-21-24(32)25(37-27(21)33-14)26(35)34-20-10-16-7-17(12-31)22(11-23(16)36-13-20)15-8-18-3-2-4-19(9-15)28(18,29)30;1-2-32-6-5-16-8-21(30-31-23(16)32)24(34)29-19-7-15-3-4-20(9-22(15)35-14-19)33-12-17-10-28-11-18(13-33)25(17,26)27;1-13-8-14(2)29-25-20(13)22(28)23(35-25)24(33)30-15-9-16-19(34-12-15)10-18(17(11-27)21(16)26)32-6-4-31(3)5-7-32;1-13-8-14(2)29-25-20(13)21(28)23(35-25)24(33)30-15-9-16-18(26)10-19(17(11-27)22(16)34-12-15)32-6-4-31(3)5-7-32;1-2-30-9-8-17-11-22(28-29-24(17)30)25(32)27-20-10-16-6-7-21(12-23(16)33-15-20)31-13-18-4-3-5-19(14-31)26-18;1-11-28-22-20(33-11)18(26)19(34-22)21(31)29-15-4-12-2-3-16(5-17(12)32-10-15)30-8-13-6-27-7-14(9-30)23(13,24)25/h5-7,11,15,18-20H,2-4,8-10,13,32H2,1H3,(H,34,35);3-6,8-9,17-19,28H,2,7,10-14H2,1H3,(H,29,34);2*8,10,15H,4-7,9,12,28H2,1-3H3,(H,30,33);6-9,11-12,18-20,26H,2-5,10,13-15H2,1H3,(H,27,32);2-3,5,13-15,27H,4,6-10,26H2,1H3,(H,29,31)/t15?,18?,19?,20-;17?,18?,19-;2*15-;18?,19?,20-;13?,14?,15-/m111111/s1
InChIKeyCGGGWZJXNKYCQS-YQCFKKEXSA-N
XLogP19.97
TPSA577.18 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds20
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002946.52
LogP ≤ 519.97
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

Analyze 3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (CID 167549783) is 3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is CCn1ccc2cc(C(=O)N[C@H]3COc4cc(N5CC6CCCC(C5)N6)ccc4C3)nnc21.CCn1ccc2cc(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)nnc21.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4c(C#N)c(N5CCN(C)CC5)cc(F)c4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CCN(C)CC5)c(C#N)c(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(C5CC6CCCC(C5)C6(F)F)c(C#N)cc4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)c(N)c2s1.
What is the InChIKey of 3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
The InChIKey is CGGGWZJXNKYCQS-YQCFKKEXSA-N. The full InChI is InChI=1S/C28H28F2N4O2S.C25H28F2N6O2.2C25H27FN6O2S.C25H30N6O2.C23H25F2N5O2S2/c1-14-5-6-21-24(32)25(37-27(21)33-14)26(35)34-20-10-16-7-17(12-31)22(11-23(16)36-13-20)15-8-18-3-2-4-19(9-15)28(18,29)30;1-2-32-6-5-16-8-21(30-31-23(16)32)24(34)29-19-7-15-3-4-20(9-22(15)35-14-19)33-12-17-10-28-11-18(13-33)25(17,26)27;1-13-8-14(2)29-25-20(13)22(28)23(35-25)24(33)30-15-9-16-19(34-12-15)10-18(17(11-27)21(16)26)32-6-4-31(3)5-7-32;1-13-8-14(2)29-25-20(13)21(28)23(35-25)24(33)30-15-9-16-18(26)10-19(17(11-27)22(16)34-12-15)32-6-4-31(3)5-7-32;1-2-30-9-8-17-11-22(28-29-24(17)30)25(32)27-20-10-16-6-7-21(12-23(16)33-15-20)31-13-18-4-3-5-19(14-31)26-18;1-11-28-22-20(33-11)18(26)19(34-22)21(31)29-15-4-12-2-3-16(5-17(12)32-10-15)30-8-13-6-27-7-14(9-30)23(13,24)25/h5-7,11,15,18-20H,2-4,8-10,13,32H2,1H3,(H,34,35);3-6,8-9,17-19,28H,2,7,10-14H2,1H3,(H,29,34);2*8,10,15H,4-7,9,12,28H2,1-3H3,(H,30,33);6-9,11-12,18-20,26H,2-5,10,13-15H2,1H3,(H,27,32);2-3,5,13-15,27H,4,6-10,26H2,1H3,(H,29,31)/t15?,18?,19?,20-;17?,18?,19-;2*15-;18?,19?,20-;13?,14?,15-/m111111/s1.
What are the key properties of 3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?
3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 2946.52 g/mol, XLogP of 19.97, 20 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-6-cyano-7-(9,9-difluoro-3-bicyclo[3.3.1]nonanyl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-8-cyano-5-fluoro-7-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 167549783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).