7-amino-N-[(3R)-8-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)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,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-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-benzyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide

C118H126F3N25O12S4 — CID 167653089

About 7-amino-N-[(3R)-8-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)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,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-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-benzyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide

7-amino-N-[(3R)-8-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)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,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-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-benzyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 167653089) has the molecular formula C118H126F3N25O12S4 and a molecular weight of 2271.73 g/mol. Its IUPAC name is 7-amino-N-[(3R)-8-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)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,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-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-benzyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 7-amino-N-[(3R)-8-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)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,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-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-benzyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 167653089
• Molecular Formula: C118H126F3N25O12S4
• Molecular Weight: 2271.73 g/mol
• Exact Mass: 2269.89
• IUPAC Name: 7-amino-N-[(3R)-8-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)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,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-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-benzyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)c(F)c(F)c4C3)sc2n1.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]3COc4c(C#N)c(N5CCNCC5)cc(F)c4C3)sc2n1.O=C(N[C@H]1COc2cc(N3CCNCC3)ccc2C1)c1cnc2c(ccn2Cc2ccccc2)c1
• InChI: InChI=1S/C28H29N5O2.2C23H26N4O3S.C22H23F2N5O2S.C22H22FN7O2S/c34-28(23-14-22-8-11-33(27(22)30-17-23)18-20-4-2-1-3-5-20)31-24-15-21-6-7-25(16-26(21)35-19-24)32-12-9-29-10-13-32;2*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;1-11-2-3-13-19(25)20(32-22(13)27-11)21(30)28-12-8-14-16(31-10-12)9-15(18(24)17(14)23)29-6-4-26-5-7-29;1-11-9-27-18-17(25)20(33-22(18)28-11)21(31)29-12-6-13-15(23)7-16(30-4-2-26-3-5-30)14(8-24)19(13)32-10-12/h1-8,11,14,16-17,24,29H,9-10,12-13,15,18-19H2,(H,31,34);2*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)/t24-;15-,16+,18+;15-,16-,18-;2*12-/m11111/s1
• InChIKey: QWBRYBSEXAEVJW-MTKAPNBSSA-N
• XLogP: 12.29
• TPSA: 512.12 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 36
• Rotatable Bonds: 17
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2271.73
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

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

The IUPAC name of 7-amino-N-[(3R)-8-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)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,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-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-benzyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide (CID 167653089) is 7-amino-N-[(3R)-8-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)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,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-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-benzyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide.

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

The canonical SMILES for 7-amino-N-[(3R)-8-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)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,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-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-benzyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)c(F)c(F)c4C3)sc2n1.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]3COc4c(C#N)c(N5CCNCC5)cc(F)c4C3)sc2n1.O=C(N[C@H]1COc2cc(N3CCNCC3)ccc2C1)c1cnc2c(ccn2Cc2ccccc2)c1.

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

The InChIKey is QWBRYBSEXAEVJW-MTKAPNBSSA-N. The full InChI is InChI=1S/C28H29N5O2.2C23H26N4O3S.C22H23F2N5O2S.C22H22FN7O2S/c34-28(23-14-22-8-11-33(27(22)30-17-23)18-20-4-2-1-3-5-20)31-24-15-21-6-7-25(16-26(21)35-19-24)32-12-9-29-10-13-32;2*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;1-11-2-3-13-19(25)20(32-22(13)27-11)21(30)28-12-8-14-16(31-10-12)9-15(18(24)17(14)23)29-6-4-26-5-7-29;1-11-9-27-18-17(25)20(33-22(18)28-11)21(31)29-12-6-13-15(23)7-16(30-4-2-26-3-5-30)14(8-24)19(13)32-10-12/h1-8,11,14,16-17,24,29H,9-10,12-13,15,18-19H2,(H,31,34);2*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)/t24-;15-,16+,18+;15-,16-,18-;2*12-/m11111/s1.

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

7-amino-N-[(3R)-8-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)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,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-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-benzyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 2271.73 g/mol, XLogP of 12.29, 17 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[(3R)-8-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)-5,6-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,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-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-benzyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 167653089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).