3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide

C144H158F8N30O14S4 — CID 167583021

IUPAC3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCn1ccc2cc(C(=O)N[C@@H]3COc4cc(N5CC6CCC(C5)N6)ccc4C3)cnc21.CCn1ccc2cc(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)ccc4C3)cnc21.Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CC6CCC(C5)N6)cc(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CCNCC5)c(OC(F)(F)F)cc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)cc(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)c(OC(F)(F)F)cc4C3)sc2n1
InChIInChI=1S/2C25H29N5O2.2C24H26FN5O2S.2C23H24F3N5O3S/c2*1-2-29-8-7-17-9-18(12-26-24(17)29)25(31)28-21-10-16-3-6-22(11-23(16)32-15-21)30-13-19-4-5-20(14-30)27-19;2*1-12-2-5-17-21(26)22(33-24(17)27-12)23(31)29-15-6-18-19(25)7-16(8-20(18)32-11-15)30-9-13-3-4-14(10-30)28-13;2*1-12-2-3-15-19(27)20(35-22(15)29-12)21(32)30-14-8-13-9-18(34-23(24,25)26)16(10-17(13)33-11-14)31-6-4-28-5-7-31/h2*3,6-9,11-12,19-21,27H,2,4-5,10,13-15H2,1H3,(H,28,31);2*2,5,7-8,13-15,28H,3-4,6,9-11,26H2,1H3,(H,29,31);2*2-3,9-10,14,28H,4-8,11,27H2,1H3,(H,30,32)/t2*19?,20?,21-;2*13?,14?,15-;2*14-/m101010/s1
InChIKeyHKXMEJVALAMHAQ-DEXCPSTCSA-N
MW2813.30 g/mol
LogP17.92
Rot. Bonds22

About 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide

3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 167583021) has the molecular formula C144H158F8N30O14S4 and a molecular weight of 2813.30 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID167583021
Molecular FormulaC144H158F8N30O14S4
Molecular Weight2813.30 g/mol
Exact Mass2811.13
IUPAC Name3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCn1ccc2cc(C(=O)N[C@@H]3COc4cc(N5CC6CCC(C5)N6)ccc4C3)cnc21.CCn1ccc2cc(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)ccc4C3)cnc21.Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CC6CCC(C5)N6)cc(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CCNCC5)c(OC(F)(F)F)cc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)cc(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)c(OC(F)(F)F)cc4C3)sc2n1
InChIInChI=1S/2C25H29N5O2.2C24H26FN5O2S.2C23H24F3N5O3S/c2*1-2-29-8-7-17-9-18(12-26-24(17)29)25(31)28-21-10-16-3-6-22(11-23(16)32-15-21)30-13-19-4-5-20(14-30)27-19;2*1-12-2-5-17-21(26)22(33-24(17)27-12)23(31)29-15-6-18-19(25)7-16(8-20(18)32-11-15)30-9-13-3-4-14(10-30)28-13;2*1-12-2-3-15-19(27)20(35-22(15)29-12)21(32)30-14-8-13-9-18(34-23(24,25)26)16(10-17(13)33-11-14)31-6-4-28-5-7-31/h2*3,6-9,11-12,19-21,27H,2,4-5,10,13-15H2,1H3,(H,28,31);2*2,5,7-8,13-15,28H,3-4,6,9-11,26H2,1H3,(H,29,31);2*2-3,9-10,14,28H,4-8,11,27H2,1H3,(H,30,32)/t2*19?,20?,21-;2*13?,14?,15-;2*14-/m101010/s1
InChIKeyHKXMEJVALAMHAQ-DEXCPSTCSA-N
XLogP17.92
TPSA531.34 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds22
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002813.30
LogP ≤ 517.92
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Analyze 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 167583021) is 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide is CCn1ccc2cc(C(=O)N[C@@H]3COc4cc(N5CC6CCC(C5)N6)ccc4C3)cnc21.CCn1ccc2cc(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)ccc4C3)cnc21.Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CC6CCC(C5)N6)cc(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CCNCC5)c(OC(F)(F)F)cc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)cc(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)c(OC(F)(F)F)cc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is HKXMEJVALAMHAQ-DEXCPSTCSA-N. The full InChI is InChI=1S/2C25H29N5O2.2C24H26FN5O2S.2C23H24F3N5O3S/c2*1-2-29-8-7-17-9-18(12-26-24(17)29)25(31)28-21-10-16-3-6-22(11-23(16)32-15-21)30-13-19-4-5-20(14-30)27-19;2*1-12-2-5-17-21(26)22(33-24(17)27-12)23(31)29-15-6-18-19(25)7-16(8-20(18)32-11-15)30-9-13-3-4-14(10-30)28-13;2*1-12-2-3-15-19(27)20(35-22(15)29-12)21(32)30-14-8-13-9-18(34-23(24,25)26)16(10-17(13)33-11-14)31-6-4-28-5-7-31/h2*3,6-9,11-12,19-21,27H,2,4-5,10,13-15H2,1H3,(H,28,31);2*2,5,7-8,13-15,28H,3-4,6,9-11,26H2,1H3,(H,29,31);2*2-3,9-10,14,28H,4-8,11,27H2,1H3,(H,30,32)/t2*19?,20?,21-;2*13?,14?,15-;2*14-/m101010/s1.
What are the key properties of 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 2813.30 g/mol, XLogP of 17.92, 22 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 167583021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).