6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide

C149H164F8N30O13S6 — CID 167551741

IUPAC6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide
SMILESCc1cc(C(F)(F)F)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)sc2n1.Cc1cc(C(F)(F)F)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)O6)ccc4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)c(N)c2s1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CC6CCCC(C5)N6)ccc4C3)c(N)c2s1.O=C(N[C@H]1COc2cc(N3CC4CCC(C3)N4)ccc2C1)c1ccc(NCc2ccccc2)nc1.O=C(N[C@H]1COc2cc(N3CC4CCC(C3)N4)ccc2C1)c1cnc2c(c1)C1(CCN2)CC1
InChIInChI=1S/C28H31N5O2.C26H26F5N5O2S.C26H31N5O2.C25H26F3N5O3S.C23H27N5O2S2.C21H23N5O2S2/c34-28(21-7-11-27(30-15-21)29-14-19-4-2-1-3-5-19)32-24-12-20-6-10-25(13-26(20)35-18-24)33-16-22-8-9-23(17-33)31-22;1-12-4-18(26(29,30)31)20-21(32)22(39-24(20)34-12)23(37)35-16-5-13-2-3-17(6-19(13)38-11-16)36-9-14-7-33-8-15(10-36)25(14,27)28;32-25(17-10-22-24(28-12-17)27-8-7-26(22)5-6-26)30-20-9-16-1-4-21(11-23(16)33-15-20)31-13-18-2-3-19(14-31)29-18;1-12-4-18(25(26,27)28)20-21(29)22(37-24(20)31-12)23(34)32-14-5-13-2-3-15(6-19(13)35-11-14)33-9-16-7-30-8-17(10-33)36-16;1-12-25-23-21(31-12)19(24)20(32-23)22(29)27-16-7-13-5-6-17(8-18(13)30-11-16)28-9-14-3-2-4-15(10-28)26-14;1-10-23-21-19(29-10)17(22)18(30-21)20(27)25-14-4-11-2-3-15(6-16(11)28-9-14)26-7-12-5-13(8-26)24-12/h1-7,10-11,13,15,22-24,31H,8-9,12,14,16-18H2,(H,29,30)(H,32,34);2-4,6,14-16,33H,5,7-11,32H2,1H3,(H,35,37);1,4,10-12,18-20,29H,2-3,5-9,13-15H2,(H,27,28)(H,30,32);2-4,6,14,16-17,30H,5,7-11,29H2,1H3,(H,32,34);5-6,8,14-16,26H,2-4,7,9-11,24H2,1H3,(H,27,29);2-3,6,12-14,24H,4-5,7-9,22H2,1H3,(H,25,27)/t22?,23?,24-;14?,15?,16-;18?,19?,20-;14-,16?,17?;14?,15?,16-;12?,13?,14-/m111111/s1
InChIKeyCMMOFCKVGULNOM-MWHKJBSHSA-N
MW2927.53 g/mol
LogP19.16
Rot. Bonds21

About 6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide

6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide (PubChem CID 167551741) has the molecular formula C149H164F8N30O13S6 and a molecular weight of 2927.53 g/mol. Its IUPAC name is 6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide
PubChem CID167551741
Molecular FormulaC149H164F8N30O13S6
Molecular Weight2927.53 g/mol
Exact Mass2925.13
IUPAC Name6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide
SMILESCc1cc(C(F)(F)F)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)sc2n1.Cc1cc(C(F)(F)F)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)O6)ccc4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)c(N)c2s1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CC6CCCC(C5)N6)ccc4C3)c(N)c2s1.O=C(N[C@H]1COc2cc(N3CC4CCC(C3)N4)ccc2C1)c1ccc(NCc2ccccc2)nc1.O=C(N[C@H]1COc2cc(N3CC4CCC(C3)N4)ccc2C1)c1cnc2c(c1)C1(CCN2)CC1
InChIInChI=1S/C28H31N5O2.C26H26F5N5O2S.C26H31N5O2.C25H26F3N5O3S.C23H27N5O2S2.C21H23N5O2S2/c34-28(21-7-11-27(30-15-21)29-14-19-4-2-1-3-5-19)32-24-12-20-6-10-25(13-26(20)35-18-24)33-16-22-8-9-23(17-33)31-22;1-12-4-18(26(29,30)31)20-21(32)22(39-24(20)34-12)23(37)35-16-5-13-2-3-17(6-19(13)38-11-16)36-9-14-7-33-8-15(10-36)25(14,27)28;32-25(17-10-22-24(28-12-17)27-8-7-26(22)5-6-26)30-20-9-16-1-4-21(11-23(16)33-15-20)31-13-18-2-3-19(14-31)29-18;1-12-4-18(25(26,27)28)20-21(29)22(37-24(20)31-12)23(34)32-14-5-13-2-3-15(6-19(13)35-11-14)33-9-16-7-30-8-17(10-33)36-16;1-12-25-23-21(31-12)19(24)20(32-23)22(29)27-16-7-13-5-6-17(8-18(13)30-11-16)28-9-14-3-2-4-15(10-28)26-14;1-10-23-21-19(29-10)17(22)18(30-21)20(27)25-14-4-11-2-3-15(6-16(11)28-9-14)26-7-12-5-13(8-26)24-12/h1-7,10-11,13,15,22-24,31H,8-9,12,14,16-18H2,(H,29,30)(H,32,34);2-4,6,14-16,33H,5,7-11,32H2,1H3,(H,35,37);1,4,10-12,18-20,29H,2-3,5-9,13-15H2,(H,27,28)(H,30,32);2-4,6,14,16-17,30H,5,7-11,29H2,1H3,(H,32,34);5-6,8,14-16,26H,2-4,7,9-11,24H2,1H3,(H,27,29);2-3,6,12-14,24H,4-5,7-9,22H2,1H3,(H,25,27)/t22?,23?,24-;14?,15?,16-;18?,19?,20-;14-,16?,17?;14?,15?,16-;12?,13?,14-/m111111/s1
InChIKeyCMMOFCKVGULNOM-MWHKJBSHSA-N
XLogP19.16
TPSA536.31 Ų
H-Bond Donors18
H-Bond Acceptors43
Rotatable Bonds21
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002927.53
LogP ≤ 519.16
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1043

Analyze 6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide?
The IUPAC name of 6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide (CID 167551741) is 6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide?
The canonical SMILES for 6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide is Cc1cc(C(F)(F)F)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)sc2n1.Cc1cc(C(F)(F)F)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)O6)ccc4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)c(N)c2s1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CC6CCCC(C5)N6)ccc4C3)c(N)c2s1.O=C(N[C@H]1COc2cc(N3CC4CCC(C3)N4)ccc2C1)c1ccc(NCc2ccccc2)nc1.O=C(N[C@H]1COc2cc(N3CC4CCC(C3)N4)ccc2C1)c1cnc2c(c1)C1(CCN2)CC1.
What is the InChIKey of 6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide?
The InChIKey is CMMOFCKVGULNOM-MWHKJBSHSA-N. The full InChI is InChI=1S/C28H31N5O2.C26H26F5N5O2S.C26H31N5O2.C25H26F3N5O3S.C23H27N5O2S2.C21H23N5O2S2/c34-28(21-7-11-27(30-15-21)29-14-19-4-2-1-3-5-19)32-24-12-20-6-10-25(13-26(20)35-18-24)33-16-22-8-9-23(17-33)31-22;1-12-4-18(26(29,30)31)20-21(32)22(39-24(20)34-12)23(37)35-16-5-13-2-3-17(6-19(13)38-11-16)36-9-14-7-33-8-15(10-36)25(14,27)28;32-25(17-10-22-24(28-12-17)27-8-7-26(22)5-6-26)30-20-9-16-1-4-21(11-23(16)33-15-20)31-13-18-2-3-19(14-31)29-18;1-12-4-18(25(26,27)28)20-21(29)22(37-24(20)31-12)23(34)32-14-5-13-2-3-15(6-19(13)35-11-14)33-9-16-7-30-8-17(10-33)36-16;1-12-25-23-21(31-12)19(24)20(32-23)22(29)27-16-7-13-5-6-17(8-18(13)30-11-16)28-9-14-3-2-4-15(10-28)26-14;1-10-23-21-19(29-10)17(22)18(30-21)20(27)25-14-4-11-2-3-15(6-16(11)28-9-14)26-7-12-5-13(8-26)24-12/h1-7,10-11,13,15,22-24,31H,8-9,12,14,16-18H2,(H,29,30)(H,32,34);2-4,6,14-16,33H,5,7-11,32H2,1H3,(H,35,37);1,4,10-12,18-20,29H,2-3,5-9,13-15H2,(H,27,28)(H,30,32);2-4,6,14,16-17,30H,5,7-11,29H2,1H3,(H,32,34);5-6,8,14-16,26H,2-4,7,9-11,24H2,1H3,(H,27,29);2-3,6,12-14,24H,4-5,7-9,22H2,1H3,(H,25,27)/t22?,23?,24-;14?,15?,16-;18?,19?,20-;14-,16?,17?;14?,15?,16-;12?,13?,14-/m111111/s1.
What are the key properties of 6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide?
6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide has a molecular weight of 2927.53 g/mol, XLogP of 19.16, 21 rotatable bonds, 18 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;6-amino-N-[(3R)-7-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-(benzylamino)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]spiro[7,8-dihydro-6H-1,8-naphthyridine-5,1'-cyclopropane]-3-carboxamide is sourced from PubChem (CID 167551741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).