3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C97H118F2N22O10S4 — CID 167532451

About 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 167532451) has the molecular formula C97H118F2N22O10S4 and a molecular weight of 1918.42 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 167532451
• Molecular Formula: C97H118F2N22O10S4
• Molecular Weight: 1918.42 g/mol
• Exact Mass: 1916.83
• IUPAC Name: 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
• SMILES: COC[C@H]1CN(c2cc(F)c3c(c2F)OC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@H]1N.CO[C@@]1(C)CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@@H]1C.CO[C@]1(C)CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@H]1C.CO[C@]1(C)CN(c2ccc3c(n2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1C
• InChI: InChI=1S/C25H29F2N5O3S.2C24H30N6O2S.C24H29N5O3S/c1-11-4-12(2)30-25-19(11)21(29)23(36-25)24(33)31-14-5-15-16(26)6-18(20(27)22(15)35-10-14)32-7-13(9-34-3)17(28)8-32;2*1-13-11-30(12-24(13,3)32-4)18-8-5-15-9-16(6-7-17(15)29-18)28-22(31)21-19(25)20-23(33-21)27-14(2)10-26-20;1-13-10-29(12-24(13,3)31-4)18-8-6-15-9-16(11-32-22(15)28-18)27-21(30)20-19(25)17-7-5-14(2)26-23(17)33-20/h4,6,13-14,17H,5,7-10,28-29H2,1-3H3,(H,31,33);2*5,8,10,13,16H,6-7,9,11-12,25H2,1-4H3,(H,28,31);5-8,13,16H,9-12,25H2,1-4H3,(H,27,30)/t13-,14-,17-;13-,16+,24-;2*13-,16-,24-/m1101/s1
• InChIKey: ADRFKCQNAZDHAZ-OEFQTUNXSA-N
• XLogP: 12.34
• TPSA: 430.85 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 17
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1918.42
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?

The IUPAC name of 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 167532451) is 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

What is the SMILES notation for 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?

The canonical SMILES for 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is COC[C@H]1CN(c2cc(F)c3c(c2F)OC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@H]1N.CO[C@@]1(C)CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@@H]1C.CO[C@]1(C)CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@H]1C.CO[C@]1(C)CN(c2ccc3c(n2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1C.

What is the InChIKey of 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?

The InChIKey is ADRFKCQNAZDHAZ-OEFQTUNXSA-N. The full InChI is InChI=1S/C25H29F2N5O3S.2C24H30N6O2S.C24H29N5O3S/c1-11-4-12(2)30-25-19(11)21(29)23(36-25)24(33)31-14-5-15-16(26)6-18(20(27)22(15)35-10-14)32-7-13(9-34-3)17(28)8-32;2*1-13-11-30(12-24(13,3)32-4)18-8-5-15-9-16(6-7-17(15)29-18)28-22(31)21-19(25)20-23(33-21)27-14(2)10-26-20;1-13-10-29(12-24(13,3)31-4)18-8-6-15-9-16(11-32-22(15)28-18)27-21(30)20-19(25)17-7-5-14(2)26-23(17)33-20/h4,6,13-14,17H,5,7-10,28-29H2,1-3H3,(H,31,33);2*5,8,10,13,16H,6-7,9,11-12,25H2,1-4H3,(H,28,31);5-8,13,16H,9-12,25H2,1-4H3,(H,27,30)/t13-,14-,17-;13-,16+,24-;2*13-,16-,24-/m1101/s1.

What are the key properties of 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?

3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 1918.42 g/mol, XLogP of 12.34, 17 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(6S)-2-[(3R,4S)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3S,4R)-3-methoxy-3,4-dimethylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 167532451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).