3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C122H136F5N25O11S5 — CID 167540550

IUPAC3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)O6)ccc4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)sc2n1
InChIInChI=1S/C26H29F2N5O2S.C25H29N5O3S.C24H24F3N5O2S.C24H27N5O2S.C23H27N5O2S/c1-13-5-14(2)31-25-21(13)22(29)23(36-25)24(34)32-18-6-15-3-4-19(7-20(15)35-12-18)33-10-16-8-30-9-17(11-33)26(16,27)28;1-13-5-14(2)28-25-21(13)22(26)23(34-25)24(31)29-16-6-15-3-4-17(7-20(15)32-12-16)30-10-18-8-27-9-19(11-30)33-18;1-11-4-17(24(25,26)27)19-20(28)21(35-23(19)29-11)22(33)31-15-5-12-2-3-16(7-18(12)34-10-15)32-8-13-6-14(9-32)30-13;1-12-5-13(2)26-24-20(12)21(25)22(32-24)23(30)28-17-6-14-3-4-18(8-19(14)31-11-17)29-9-15-7-16(10-29)27-15;1-13-9-14(2)26-23-19(13)20(24)21(31-23)22(29)27-16-10-15-3-4-17(11-18(15)30-12-16)28-7-5-25-6-8-28/h3-5,7,16-18,30H,6,8-12,29H2,1-2H3,(H,32,34);3-5,7,16,18-19,27H,6,8-12,26H2,1-2H3,(H,29,31);2-4,7,13-15,30H,5-6,8-10,28H2,1H3,(H,31,33);3-5,8,15-17,27H,6-7,9-11,25H2,1-2H3,(H,28,30);3-4,9,11,16,25H,5-8,10,12,24H2,1-2H3,(H,27,29)/t16?,17?,18-;16-,18?,19?;13?,14?,15-;15?,16?,17-;16-/m11111/s1
InChIKeyBDBOPRYFXAGGLD-PWJWFCCBSA-N
MW2383.92 g/mol
LogP14.83
Rot. Bonds15

About 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167540550) has the molecular formula C122H136F5N25O11S5 and a molecular weight of 2383.92 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID167540550
Molecular FormulaC122H136F5N25O11S5
Molecular Weight2383.92 g/mol
Exact Mass2381.94
IUPAC Name3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)O6)ccc4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)sc2n1
InChIInChI=1S/C26H29F2N5O2S.C25H29N5O3S.C24H24F3N5O2S.C24H27N5O2S.C23H27N5O2S/c1-13-5-14(2)31-25-21(13)22(29)23(36-25)24(34)32-18-6-15-3-4-19(7-20(15)35-12-18)33-10-16-8-30-9-17(11-33)26(16,27)28;1-13-5-14(2)28-25-21(13)22(26)23(34-25)24(31)29-16-6-15-3-4-17(7-20(15)32-12-16)30-10-18-8-27-9-19(11-30)33-18;1-11-4-17(24(25,26)27)19-20(28)21(35-23(19)29-11)22(33)31-15-5-12-2-3-16(7-18(12)34-10-15)32-8-13-6-14(9-32)30-13;1-12-5-13(2)26-24-20(12)21(25)22(32-24)23(30)28-17-6-14-3-4-18(8-19(14)31-11-17)29-9-15-7-16(10-29)27-15;1-13-9-14(2)26-23-19(13)20(24)21(31-23)22(29)27-16-10-15-3-4-17(11-18(15)30-12-16)28-7-5-25-6-8-28/h3-5,7,16-18,30H,6,8-12,29H2,1-2H3,(H,32,34);3-5,7,16,18-19,27H,6,8-12,26H2,1-2H3,(H,29,31);2-4,7,13-15,30H,5-6,8-10,28H2,1H3,(H,31,33);3-5,8,15-17,27H,6-7,9-11,25H2,1-2H3,(H,28,30);3-4,9,11,16,25H,5-8,10,12,24H2,1-2H3,(H,27,29)/t16?,17?,18-;16-,18?,19?;13?,14?,15-;15?,16?,17-;16-/m11111/s1
InChIKeyBDBOPRYFXAGGLD-PWJWFCCBSA-N
XLogP14.83
TPSA471.78 Ų
H-Bond Donors15
H-Bond Acceptors36
Rotatable Bonds15
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002383.92
LogP ≤ 514.83
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1036

Analyze 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 137480426
tert-butyl 7-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 137480429
7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 137480578
7-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 137480583
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-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480850
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137488611
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 137488614
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
CID 137488615
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 137488624
3-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 137489602
3-amino-N-[(3S)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137489672
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137489675

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 167540550) is 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C(F)(F)F)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)O6)ccc4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BDBOPRYFXAGGLD-PWJWFCCBSA-N. The full InChI is InChI=1S/C26H29F2N5O2S.C25H29N5O3S.C24H24F3N5O2S.C24H27N5O2S.C23H27N5O2S/c1-13-5-14(2)31-25-21(13)22(29)23(36-25)24(34)32-18-6-15-3-4-19(7-20(15)35-12-18)33-10-16-8-30-9-17(11-33)26(16,27)28;1-13-5-14(2)28-25-21(13)22(26)23(34-25)24(31)29-16-6-15-3-4-17(7-20(15)32-12-16)30-10-18-8-27-9-19(11-30)33-18;1-11-4-17(24(25,26)27)19-20(28)21(35-23(19)29-11)22(33)31-15-5-12-2-3-16(7-18(12)34-10-15)32-8-13-6-14(9-32)30-13;1-12-5-13(2)26-24-20(12)21(25)22(32-24)23(30)28-17-6-14-3-4-18(8-19(14)31-11-17)29-9-15-7-16(10-29)27-15;1-13-9-14(2)26-23-19(13)20(24)21(31-23)22(29)27-16-10-15-3-4-17(11-18(15)30-12-16)28-7-5-25-6-8-28/h3-5,7,16-18,30H,6,8-12,29H2,1-2H3,(H,32,34);3-5,7,16,18-19,27H,6,8-12,26H2,1-2H3,(H,29,31);2-4,7,13-15,30H,5-6,8-10,28H2,1H3,(H,31,33);3-5,8,15-17,27H,6-7,9-11,25H2,1-2H3,(H,28,30);3-4,9,11,16,25H,5-8,10,12,24H2,1-2H3,(H,27,29)/t16?,17?,18-;16-,18?,19?;13?,14?,15-;15?,16?,17-;16-/m11111/s1.
What are the key properties of 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2383.92 g/mol, XLogP of 14.83, 15 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-4,6-dimethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167540550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).