3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

C97H106Cl2F7N25O8S2 — CID 167604101

About 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 167604101) has the molecular formula C97H106Cl2F7N25O8S2 and a molecular weight of 2018.11 g/mol. Its IUPAC name is 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
• PubChem CID: 167604101
• Molecular Formula: C97H106Cl2F7N25O8S2
• Molecular Weight: 2018.11 g/mol
• Exact Mass: 2015.74
• IUPAC Name: 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
• SMILES: CCn1cc(Cl)c2cc(C(=O)N[C@H]3COc4c(C#N)c(N5CC6CCC(C5)N6)cc(F)c4C3)nnc21.CCn1cc(Cl)c2cc(C(=O)N[C@H]3COc4c(F)c(N5CC6CCC(C5)N6)cc(F)c4C3)nnc21.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](N)[C@@H](OC(C)(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](N)[C@H](OC(C)(F)F)C5)ccc4C3)sc2n1
• InChI: InChI=1S/C25H25ClFN7O2.C24H25ClF2N6O2.2C24H28F2N6O2S/c1-2-33-11-19(26)16-6-21(31-32-24(16)33)25(35)30-15-5-17-20(27)7-22(18(8-28)23(17)36-12-15)34-9-13-3-4-14(10-34)29-13;1-2-32-10-17(25)15-6-19(30-31-23(15)32)24(34)29-14-5-16-18(26)7-20(21(27)22(16)35-11-14)33-8-12-3-4-13(9-33)28-12;2*1-12-3-6-15-20(28)21(35-23(15)29-12)22(33)30-14-5-7-17-13(9-14)4-8-19(31-17)32-10-16(27)18(11-32)34-24(2,25)26/h6-7,11,13-15,29H,2-5,9-10,12H2,1H3,(H,30,35);6-7,10,12-14,28H,2-5,8-9,11H2,1H3,(H,29,34);2*3-4,6,8,14,16,18H,5,7,9-11,27-28H2,1-2H3,(H,30,33)/t13?,14?,15-;12?,13?,14-;14-,16+,18-;14-,16-,18+/m1100/s1
• InChIKey: KDMDVIGRTSRZIC-BMHLZOQGSA-N
• XLogP: 11.88
• TPSA: 431.19 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2018.11
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The IUPAC name of 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (CID 167604101) is 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

What is the SMILES notation for 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The canonical SMILES for 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is CCn1cc(Cl)c2cc(C(=O)N[C@H]3COc4c(C#N)c(N5CC6CCC(C5)N6)cc(F)c4C3)nnc21.CCn1cc(Cl)c2cc(C(=O)N[C@H]3COc4c(F)c(N5CC6CCC(C5)N6)cc(F)c4C3)nnc21.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](N)[C@@H](OC(C)(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](N)[C@H](OC(C)(F)F)C5)ccc4C3)sc2n1.

What is the InChIKey of 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The InChIKey is KDMDVIGRTSRZIC-BMHLZOQGSA-N. The full InChI is InChI=1S/C25H25ClFN7O2.C24H25ClF2N6O2.2C24H28F2N6O2S/c1-2-33-11-19(26)16-6-21(31-32-24(16)33)25(35)30-15-5-17-20(27)7-22(18(8-28)23(17)36-12-15)34-9-13-3-4-14(10-34)29-13;1-2-32-10-17(25)15-6-19(30-31-23(15)32)24(34)29-14-5-16-18(26)7-20(21(27)22(16)35-11-14)33-8-12-3-4-13(9-33)28-12;2*1-12-3-6-15-20(28)21(35-23(15)29-12)22(33)30-14-5-7-17-13(9-14)4-8-19(31-17)32-10-16(27)18(11-32)34-24(2,25)26/h6-7,11,13-15,29H,2-5,9-10,12H2,1H3,(H,30,35);6-7,10,12-14,28H,2-5,8-9,11H2,1H3,(H,29,34);2*3-4,6,8,14,16,18H,5,7,9-11,27-28H2,1-2H3,(H,30,33)/t13?,14?,15-;12?,13?,14-;14-,16+,18-;14-,16-,18+/m1100/s1.

What are the key properties of 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 2018.11 g/mol, XLogP of 11.88, 18 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoroethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(3R)-8-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;5-chloro-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 167604101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).