7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide

C124H141FN24O10S3 — CID 167600226

About 7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide

7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide (PubChem CID 167600226) has the molecular formula C124H141FN24O10S3 and a molecular weight of 2242.85 g/mol. Its IUPAC name is 7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
• PubChem CID: 167600226
• Molecular Formula: C124H141FN24O10S3
• Molecular Weight: 2242.85 g/mol
• Exact Mass: 2241.04
• IUPAC Name: 7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
• SMILES: C[C@@H]1CCc2cc(C(=O)N[C@H]3COc4cc(N5CC6CCC(C6)C5)ccc4C3)cnc2N1.C[C@H]1CCc2cc(C(=O)N[C@H]3COc4cc(N5CC6CCC(C6)C5)ccc4C3)cnc2N1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC5CC6)ncc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC5CC6)ncc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4c(C#N)c(N5CC6CC(C6)C5)cc(F)c4C3)sc2n1
• InChI: InChI=1S/2C26H32N4O2.C24H23FN6O2S.2C24H27N5O2S/c2*1-16-2-5-20-9-21(12-27-25(20)28-16)26(31)29-22-10-19-6-7-23(11-24(19)32-15-22)30-13-17-3-4-18(8-17)14-30;1-11-7-28-20-19(27)22(34-24(20)29-11)23(32)30-14-4-15-17(25)5-18(16(6-26)21(15)33-10-14)31-8-12-2-13(3-12)9-31;2*1-13-2-7-18-21(25)22(32-24(18)27-13)23(30)28-16-8-15-10-26-20(9-19(15)31-12-16)29-11-14-3-5-17(29)6-4-14/h2*6-7,9,11-12,16-18,22H,2-5,8,10,13-15H2,1H3,(H,27,28)(H,29,31);5,7,12-14H,2-4,8-10,27H2,1H3,(H,30,32);2*2,7,9-10,14,16-17H,3-6,8,11-12,25H2,1H3,(H,28,30)/t16-,17?,18?,22+;16-,17?,18?,22-;12?,13?,14-;2*14?,16-,17?/m01111/s1
• InChIKey: JPXBCLGMAQPSQN-LCBBGCFLSA-N
• XLogP: 18.16
• TPSA: 436.88 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2242.85
LogP ≤ 5	18.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide (CID 167600226) is 7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide is C[C@@H]1CCc2cc(C(=O)N[C@H]3COc4cc(N5CC6CCC(C6)C5)ccc4C3)cnc2N1.C[C@H]1CCc2cc(C(=O)N[C@H]3COc4cc(N5CC6CCC(C6)C5)ccc4C3)cnc2N1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC5CC6)ncc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC5CC6)ncc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4c(C#N)c(N5CC6CC(C6)C5)cc(F)c4C3)sc2n1.

What is the InChIKey of 7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?

The InChIKey is JPXBCLGMAQPSQN-LCBBGCFLSA-N. The full InChI is InChI=1S/2C26H32N4O2.C24H23FN6O2S.2C24H27N5O2S/c2*1-16-2-5-20-9-21(12-27-25(20)28-16)26(31)29-22-10-19-6-7-23(11-24(19)32-15-22)30-13-17-3-4-18(8-17)14-30;1-11-7-28-20-19(27)22(34-24(20)29-11)23(32)30-14-4-15-17(25)5-18(16(6-26)21(15)33-10-14)31-8-12-2-13(3-12)9-31;2*1-13-2-7-18-21(25)22(32-24(18)27-13)23(30)28-16-8-15-10-26-20(9-19(15)31-12-16)29-11-14-3-5-17(29)6-4-14/h2*6-7,9,11-12,16-18,22H,2-5,8,10,13-15H2,1H3,(H,27,28)(H,29,31);5,7,12-14H,2-4,8-10,27H2,1H3,(H,30,32);2*2,7,9-10,14,16-17H,3-6,8,11-12,25H2,1H3,(H,28,30)/t16-,17?,18?,22+;16-,17?,18?,22-;12?,13?,14-;2*14?,16-,17?/m01111/s1.

What are the key properties of 7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?

7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide has a molecular weight of 2242.85 g/mol, XLogP of 18.16, 15 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;bis(3-amino-N-[(3R)-7-(2-azabicyclo[2.2.2]octan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);(7S)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 167600226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).