7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C110H118F5N25O13S5 — CID 167573755

About 7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167573755) has the molecular formula C110H118F5N25O13S5 and a molecular weight of 2253.64 g/mol. Its IUPAC name is 7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167573755
• Molecular Formula: C110H118F5N25O13S5
• Molecular Weight: 2253.64 g/mol
• Exact Mass: 2251.79
• IUPAC Name: 7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)N[C@H]3COc4c(F)c(N5CCNCC5)cc(F)c4C3)oc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc([C@@H]5CCNC[C@H]5O)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc([C@H]5CCNC[C@@H]5O)ccc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)c(C#N)c(F)c4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CCNCC5)c(F)c(F)c4C3)c(N)c2s1
• InChI: InChI=1S/2C23H26N4O3S.C22H23F2N5O3.C22H22FN7O2S.C20H21F2N5O2S2/c2*1-12-2-5-17-20(24)21(31-23(17)26-12)22(29)27-15-8-14-4-3-13(9-19(14)30-11-15)16-6-7-25-10-18(16)28;1-11-2-3-13-18(25)20(32-22(13)27-11)21(30)28-12-8-14-15(23)9-16(17(24)19(14)31-10-12)29-6-4-26-5-7-29;1-11-9-27-19-18(25)20(33-22(19)28-11)21(31)29-12-6-13-16(32-10-12)7-15(14(8-24)17(13)23)30-4-2-26-3-5-30;1-9-25-20-18(30-9)16(23)17(31-20)19(28)26-10-6-11-13(29-8-10)7-12(15(22)14(11)21)27-4-2-24-3-5-27/h2*2-5,9,15-16,18,25,28H,6-8,10-11,24H2,1H3,(H,27,29);2-3,9,12,26H,4-8,10,25H2,1H3,(H,28,30);7,9,12,26H,2-6,10,25H2,1H3,(H,29,31);7,10,24H,2-6,8,23H2,1H3,(H,26,28)/t15-,16+,18-;15-,16-,18+;2*12-;10-/m11111/s1
• InChIKey: GGGILOMXUZEOEU-TYFBVDEESA-N
• XLogP: 11.26
• TPSA: 546.35 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 38
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2253.64
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167573755) is 7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4c(F)c(N5CCNCC5)cc(F)c4C3)oc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc([C@@H]5CCNC[C@H]5O)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc([C@H]5CCNC[C@@H]5O)ccc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)c(C#N)c(F)c4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CCNCC5)c(F)c(F)c4C3)c(N)c2s1.

What is the InChIKey of 7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is GGGILOMXUZEOEU-TYFBVDEESA-N. The full InChI is InChI=1S/2C23H26N4O3S.C22H23F2N5O3.C22H22FN7O2S.C20H21F2N5O2S2/c2*1-12-2-5-17-20(24)21(31-23(17)26-12)22(29)27-15-8-14-4-3-13(9-19(14)30-11-15)16-6-7-25-10-18(16)28;1-11-2-3-13-18(25)20(32-22(13)27-11)21(30)28-12-8-14-15(23)9-16(17(24)19(14)31-10-12)29-6-4-26-5-7-29;1-11-9-27-19-18(25)20(33-22(19)28-11)21(31)29-12-6-13-16(32-10-12)7-15(14(8-24)17(13)23)30-4-2-26-3-5-30;1-9-25-20-18(30-9)16(23)17(31-20)19(28)26-10-6-11-13(29-8-10)7-12(15(22)14(11)21)27-4-2-24-3-5-27/h2*2-5,9,15-16,18,25,28H,6-8,10-11,24H2,1H3,(H,27,29);2-3,9,12,26H,4-8,10,25H2,1H3,(H,28,30);7,9,12,26H,2-6,10,25H2,1H3,(H,29,31);7,10,24H,2-6,8,23H2,1H3,(H,26,28)/t15-,16+,18-;15-,16-,18+;2*12-;10-/m11111/s1.

What are the key properties of 7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2253.64 g/mol, XLogP of 11.26, 15 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[(3R)-6-cyano-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167573755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).