3-amino-N-[(3R)-7-[(4R)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C93H107F4N21O8S4 — CID 167531469

About 3-amino-N-[(3R)-7-[(4R)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-[(4R)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167531469) has the molecular formula C93H107F4N21O8S4 and a molecular weight of 1851.28 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(4R)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-7-[(4R)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167531469
• Molecular Formula: C93H107F4N21O8S4
• Molecular Weight: 1851.28 g/mol
• Exact Mass: 1849.74
• IUPAC Name: 3-amino-N-[(3R)-7-[(4R)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: COC[C@@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.COC[C@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)C(F)(F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)C(F)(F)C5)ccc4C3)sc2n1
• InChI: InChI=1S/C25H31N5O2S.C24H30N6O2S.2C22H23F2N5O2S/c1-14-3-8-20-22(27)23(33-25(20)28-14)24(31)29-18-6-4-16-10-19(7-5-15(16)9-18)30-11-17(13-32-2)21(26)12-30;1-13-3-6-17-21(26)22(33-24(17)27-13)23(31)28-16-5-7-19-14(9-16)4-8-20(29-19)30-10-15(12-32-2)18(25)11-30;2*1-11-2-5-15-18(26)19(32-21(15)27-11)20(30)28-13-6-12-3-4-14(7-16(12)31-9-13)29-8-17(25)22(23,24)10-29/h3,5,7-8,10,17-18,21H,4,6,9,11-13,26-27H2,1-2H3,(H,29,31);3-4,6,8,15-16,18H,5,7,9-12,25-26H2,1-2H3,(H,28,31);2*2-5,7,13,17H,6,8-10,25-26H2,1H3,(H,28,30)/t17-,18-,21-;15-,16+,18-;13-,17+;13-,17-/m0111/s1
• InChIKey: AAHQYMMZJODLII-XSSHOGAXSA-N
• XLogP: 10.57
• TPSA: 438.89 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1851.28
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-[(3R)-7-[(4R)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167531469) is 3-amino-N-[(3R)-7-[(4R)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-N-[(3R)-7-[(4R)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is COC[C@@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.COC[C@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)C(F)(F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)C(F)(F)C5)ccc4C3)sc2n1.

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

The InChIKey is AAHQYMMZJODLII-XSSHOGAXSA-N. The full InChI is InChI=1S/C25H31N5O2S.C24H30N6O2S.2C22H23F2N5O2S/c1-14-3-8-20-22(27)23(33-25(20)28-14)24(31)29-18-6-4-16-10-19(7-5-15(16)9-18)30-11-17(13-32-2)21(26)12-30;1-13-3-6-17-21(26)22(33-24(17)27-13)23(31)28-16-5-7-19-14(9-16)4-8-20(29-19)30-10-15(12-32-2)18(25)11-30;2*1-11-2-5-15-18(26)19(32-21(15)27-11)20(30)28-13-6-12-3-4-14(7-16(12)31-9-13)29-8-17(25)22(23,24)10-29/h3,5,7-8,10,17-18,21H,4,6,9,11-13,26-27H2,1-2H3,(H,29,31);3-4,6,8,15-16,18H,5,7,9-12,25-26H2,1-2H3,(H,28,31);2*2-5,7,13,17H,6,8-10,25-26H2,1H3,(H,28,30)/t17-,18-,21-;15-,16+,18-;13-,17+;13-,17-/m0111/s1.

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

3-amino-N-[(3R)-7-[(4R)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1851.28 g/mol, XLogP of 10.57, 16 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-7-[(4R)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S)-4-amino-3,3-difluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167531469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).