3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;(7S)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;(7R)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;6-[[(1R)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide

C115H131F4N23O10S3 — CID 167570350

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

3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;(7S)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;(7R)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;6-[[(1R)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide (PubChem CID 167570350) has the molecular formula C115H131F4N23O10S3 and a molecular weight of 2167.66 g/mol. Its IUPAC name is 3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;(7S)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;(7R)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;6-[[(1R)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;(7S)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;(7R)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;6-[[(1R)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide
• PubChem CID: 167570350
• Molecular Formula: C115H131F4N23O10S3
• Molecular Weight: 2167.66 g/mol
• Exact Mass: 2165.95
• IUPAC Name: 3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;(7S)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;(7R)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;6-[[(1R)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide
• SMILES: C[C@@H](Nc1ccc(C(=O)N[C@H]2COc3cc(N4CCNCC4)ccc3C2)cn1)c1ccccc1.C[C@@H]1CCc2cc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)cnc21.C[C@H]1CCc2cc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)cnc21.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4c(F)c(N5CCNCC5)cc(F)c4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4c(F)c(N5CCNCC5)cc(F)c4C3)c(N)c2s1
• InChI: InChI=1S/C27H31N5O2.2C23H28N4O2.C22H23F2N5O2S.C20H21F2N5O2S2/c1-19(20-5-3-2-4-6-20)30-26-10-8-22(17-29-26)27(33)31-23-15-21-7-9-24(16-25(21)34-18-23)32-13-11-28-12-14-32;2*1-15-2-3-17-10-18(13-25-22(15)17)23(28)26-19-11-16-4-5-20(12-21(16)29-14-19)27-8-6-24-7-9-27;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;1-9-25-20-18(30-9)15(23)17(31-20)19(28)26-10-6-11-12(21)7-13(14(22)16(11)29-8-10)27-4-2-24-3-5-27/h2-10,16-17,19,23,28H,11-15,18H2,1H3,(H,29,30)(H,31,33);2*4-5,10,12-13,15,19,24H,2-3,6-9,11,14H2,1H3,(H,26,28);2-3,9,12,26H,4-8,10,25H2,1H3,(H,28,30);7,10,24H,2-6,8,23H2,1H3,(H,26,28)/t19-,23-;15-,19+;15-,19-;12-;10-/m10111/s1
• InChIKey: FVABWDJEENBNAQ-OAGQCPARSA-N
• XLogP: 13.22
• TPSA: 396.52 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2167.66
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;(7S)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;(7R)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;6-[[(1R)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide (CID 167570350) is 3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;(7S)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;(7R)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;6-[[(1R)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide.

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

The canonical SMILES for 3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;(7S)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;(7R)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;6-[[(1R)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide is C[C@@H](Nc1ccc(C(=O)N[C@H]2COc3cc(N4CCNCC4)ccc3C2)cn1)c1ccccc1.C[C@@H]1CCc2cc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)cnc21.C[C@H]1CCc2cc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)cnc21.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4c(F)c(N5CCNCC5)cc(F)c4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4c(F)c(N5CCNCC5)cc(F)c4C3)c(N)c2s1.

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

The InChIKey is FVABWDJEENBNAQ-OAGQCPARSA-N. The full InChI is InChI=1S/C27H31N5O2.2C23H28N4O2.C22H23F2N5O2S.C20H21F2N5O2S2/c1-19(20-5-3-2-4-6-20)30-26-10-8-22(17-29-26)27(33)31-23-15-21-7-9-24(16-25(21)34-18-23)32-13-11-28-12-14-32;2*1-15-2-3-17-10-18(13-25-22(15)17)23(28)26-19-11-16-4-5-20(12-21(16)29-14-19)27-8-6-24-7-9-27;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;1-9-25-20-18(30-9)15(23)17(31-20)19(28)26-10-6-11-12(21)7-13(14(22)16(11)29-8-10)27-4-2-24-3-5-27/h2-10,16-17,19,23,28H,11-15,18H2,1H3,(H,29,30)(H,31,33);2*4-5,10,12-13,15,19,24H,2-3,6-9,11,14H2,1H3,(H,26,28);2-3,9,12,26H,4-8,10,25H2,1H3,(H,28,30);7,10,24H,2-6,8,23H2,1H3,(H,26,28)/t19-,23-;15-,19+;15-,19-;12-;10-/m10111/s1.

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

3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;(7S)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;(7R)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;6-[[(1R)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide has a molecular weight of 2167.66 g/mol, XLogP of 13.22, 18 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-5,8-difluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;(7S)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;(7R)-7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;6-[[(1R)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 167570350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).