3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide

C87H94F5N21O8S4 — CID 167708468

IUPAC3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc([C@@H]5CCNCC5(F)F)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc([C@H]5CCNCC5(F)F)ccc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ncc4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ncc4C3)c(N)c2cc1F
InChIInChI=1S/2C23H24F2N4O2S.C21H23FN6O2S.C20H23N7O2S/c2*1-12-2-5-16-19(26)20(32-22(16)28-12)21(30)29-15-8-14-4-3-13(9-18(14)31-10-15)17-6-7-27-11-23(17,24)25;1-11-15(22)7-14-18(23)19(31-21(14)26-11)20(29)27-13-6-12-9-25-17(8-16(12)30-10-13)28-4-2-24-3-5-28;1-11-8-24-17-16(21)18(30-20(17)25-11)19(28)26-13-6-12-9-23-15(7-14(12)29-10-13)27-4-2-22-3-5-27/h2*2-5,9,15,17,27H,6-8,10-11,26H2,1H3,(H,29,30);7-9,13,24H,2-6,10,23H2,1H3,(H,27,29);7-9,13,22H,2-6,10,21H2,1H3,(H,26,28)/t15-,17+;15-,17-;2*13-/m1111/s1
InChIKeyZLTYGGPKIHVTDQ-SWWVOOQESA-N
MW1785.11 g/mol
LogP10.25
Rot. Bonds12

About 3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide

3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 167708468) has the molecular formula C87H94F5N21O8S4 and a molecular weight of 1785.11 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID167708468
Molecular FormulaC87H94F5N21O8S4
Molecular Weight1785.11 g/mol
Exact Mass1783.64
IUPAC Name3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc([C@@H]5CCNCC5(F)F)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc([C@H]5CCNCC5(F)F)ccc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ncc4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ncc4C3)c(N)c2cc1F
InChIInChI=1S/2C23H24F2N4O2S.C21H23FN6O2S.C20H23N7O2S/c2*1-12-2-5-16-19(26)20(32-22(16)28-12)21(30)29-15-8-14-4-3-13(9-18(14)31-10-15)17-6-7-27-11-23(17,24)25;1-11-15(22)7-14-18(23)19(31-21(14)26-11)20(29)27-13-6-12-9-25-17(8-16(12)30-10-13)28-4-2-24-3-5-28;1-11-8-24-17-16(21)18(30-20(17)25-11)19(28)26-13-6-12-9-23-15(7-14(12)29-10-13)27-4-2-22-3-5-27/h2*2-5,9,15,17,27H,6-8,10-11,26H2,1H3,(H,29,30);7-9,13,24H,2-6,10,23H2,1H3,(H,27,29);7-9,13,22H,2-6,10,21H2,1H3,(H,26,28)/t15-,17+;15-,17-;2*13-/m1111/s1
InChIKeyZLTYGGPKIHVTDQ-SWWVOOQESA-N
XLogP10.25
TPSA402.23 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001785.11
LogP ≤ 510.25
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Analyze 3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide (CID 167708468) is 3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc([C@@H]5CCNCC5(F)F)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc([C@H]5CCNCC5(F)F)ccc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ncc4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ncc4C3)c(N)c2cc1F.
What is the InChIKey of 3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is ZLTYGGPKIHVTDQ-SWWVOOQESA-N. The full InChI is InChI=1S/2C23H24F2N4O2S.C21H23FN6O2S.C20H23N7O2S/c2*1-12-2-5-16-19(26)20(32-22(16)28-12)21(30)29-15-8-14-4-3-13(9-18(14)31-10-15)17-6-7-27-11-23(17,24)25;1-11-15(22)7-14-18(23)19(31-21(14)26-11)20(29)27-13-6-12-9-25-17(8-16(12)30-10-13)28-4-2-24-3-5-28;1-11-8-24-17-16(21)18(30-20(17)25-11)19(28)26-13-6-12-9-23-15(7-14(12)29-10-13)27-4-2-22-3-5-27/h2*2-5,9,15,17,27H,6-8,10-11,26H2,1H3,(H,29,30);7-9,13,24H,2-6,10,23H2,1H3,(H,27,29);7-9,13,22H,2-6,10,21H2,1H3,(H,26,28)/t15-,17+;15-,17-;2*13-/m1111/s1.
What are the key properties of 3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 1785.11 g/mol, XLogP of 10.25, 12 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-[(4R)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-3,3-difluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;7-amino-3-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 167708468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).