7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide

C94H100F4N24O12S2 — CID 167685365

About 7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide

7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide (PubChem CID 167685365) has the molecular formula C94H100F4N24O12S2 and a molecular weight of 1898.12 g/mol. Its IUPAC name is 7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167685365
• Molecular Formula: C94H100F4N24O12S2
• Molecular Weight: 1898.12 g/mol
• Exact Mass: 1896.73
• IUPAC Name: 7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide
• SMILES: CO[C@H]1CN(c2cc(F)c3c(c2C#N)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.CO[C@H]1CN(c2cc(F)c3c(c2C#N)OC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@@H]1N.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4c(F)c(N5CC6CCC(C5)N6)cc(F)c4C3)oc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CC6CCC(C5)N6)ccc4C3)oc2n1
• InChI: InChI=1S/C24H25F2N5O3.C24H25FN6O3S.C23H24FN7O3S.C23H26N6O3/c1-11-2-5-15-20(27)22(34-24(15)28-11)23(32)30-14-6-16-17(25)7-18(19(26)21(16)33-10-14)31-8-12-3-4-13(9-31)29-12;1-11-3-4-13-20(28)22(35-24(13)29-11)23(32)30-12-5-14-16(25)6-18(15(7-26)21(14)34-10-12)31-8-17(27)19(9-31)33-2;1-10-6-28-19-18(27)21(35-23(19)29-10)22(32)30-11-3-12-14(24)4-16(13(5-25)20(12)34-9-11)31-7-15(26)17(8-31)33-2;1-12-2-6-17-19(24)20(32-23(17)25-12)21(30)27-16-8-13-3-7-18(28-22(13)31-11-16)29-9-14-4-5-15(10-29)26-14/h2,5,7,12-14,29H,3-4,6,8-10,27H2,1H3,(H,30,32);3-4,6,12,17,19H,5,8-10,27-28H2,1-2H3,(H,30,32);4,6,11,15,17H,3,7-9,26-27H2,1-2H3,(H,30,32);2-3,6-7,14-16,26H,4-5,8-11,24H2,1H3,(H,27,30)/t12?,13?,14-;12-,17+,19+;11-,15+,17+;14?,15?,16-/m1111/s1
• InChIKey: WDDCNHCOOWJGLH-IVDMTJSTSA-N
• XLogP: 8.04
• TPSA: 516.12 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 14
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1898.12
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide (CID 167685365) is 7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide is CO[C@H]1CN(c2cc(F)c3c(c2C#N)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.CO[C@H]1CN(c2cc(F)c3c(c2C#N)OC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@@H]1N.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4c(F)c(N5CC6CCC(C5)N6)cc(F)c4C3)oc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CC6CCC(C5)N6)ccc4C3)oc2n1.

What is the InChIKey of 7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide?

The InChIKey is WDDCNHCOOWJGLH-IVDMTJSTSA-N. The full InChI is InChI=1S/C24H25F2N5O3.C24H25FN6O3S.C23H24FN7O3S.C23H26N6O3/c1-11-2-5-15-20(27)22(34-24(15)28-11)23(32)30-14-6-16-17(25)7-18(19(26)21(16)33-10-14)31-8-12-3-4-13(9-31)29-12;1-11-3-4-13-20(28)22(35-24(13)29-11)23(32)30-12-5-14-16(25)6-18(15(7-26)21(14)34-10-12)31-8-17(27)19(9-31)33-2;1-10-6-28-19-18(27)21(35-23(19)29-10)22(32)30-11-3-12-14(24)4-16(13(5-25)20(12)34-9-11)31-7-15(26)17(8-31)33-2;1-12-2-6-17-19(24)20(32-23(17)25-12)21(30)27-16-8-13-3-7-18(28-22(13)31-11-16)29-9-14-4-5-15(10-29)26-14/h2,5,7,12-14,29H,3-4,6,8-10,27H2,1H3,(H,30,32);3-4,6,12,17,19H,5,8-10,27-28H2,1-2H3,(H,30,32);4,6,11,15,17H,3,7-9,26-27H2,1-2H3,(H,30,32);2-3,6-7,14-16,26H,4-5,8-11,24H2,1H3,(H,27,30)/t12?,13?,14-;12-,17+,19+;11-,15+,17+;14?,15?,16-/m1111/s1.

What are the key properties of 7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide?

7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 1898.12 g/mol, XLogP of 8.04, 14 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167685365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).