3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide

C97H114N22O9S3 — CID 167573467

About 3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide

3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 167573467) has the molecular formula C97H114N22O9S3 and a molecular weight of 1828.32 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 167573467
• Molecular Formula: C97H114N22O9S3
• Molecular Weight: 1828.32 g/mol
• Exact Mass: 1826.83
• IUPAC Name: 3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: CCn1ccc2cc(C(=O)N[C@H]3CCc4nc(N5C[C@H](OC)[C@@H](N)C5)ccc4C3)cnc21.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3CCc4nc(N5CC6CCC(C5)N6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)CC56COC6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)CC56COC6)ccc4C3)sc2n1
• InChI: InChI=1S/C25H30N6OS.C24H30N6O2.2C24H27N5O3S/c1-13-9-14(2)27-25-21(13)22(26)23(33-25)24(32)29-16-6-7-19-15(10-16)3-8-20(30-19)31-11-17-4-5-18(12-31)28-17;1-3-29-9-8-16-10-17(12-26-23(16)29)24(31)27-18-5-6-20-15(11-18)4-7-22(28-20)30-13-19(25)21(14-30)32-2;2*1-13-2-5-18-20(26)21(33-23(18)27-13)22(30)28-16-6-14-3-4-17(7-19(14)32-10-16)29-9-15(25)8-24(29)11-31-12-24/h3,8-9,16-18,28H,4-7,10-12,26H2,1-2H3,(H,29,32);4,7-10,12,18-19,21H,3,5-6,11,13-14,25H2,1-2H3,(H,27,31);2*2-5,7,15-16H,6,8-12,25-26H2,1H3,(H,28,30)/t16-,17?,18?;18-,19-,21-;15-,16+;15-,16-/m0001/s1
• InChIKey: GFHLRUOCMQKBPT-VHFFOYQJSA-N
• XLogP: 9.47
• TPSA: 425.93 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1828.32
LogP ≤ 5	9.47
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?

The IUPAC name of 3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 167573467) is 3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide.

What is the SMILES notation for 3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?

The canonical SMILES for 3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide is CCn1ccc2cc(C(=O)N[C@H]3CCc4nc(N5C[C@H](OC)[C@@H](N)C5)ccc4C3)cnc21.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3CCc4nc(N5CC6CCC(C5)N6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)CC56COC6)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)CC56COC6)ccc4C3)sc2n1.

What is the InChIKey of 3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?

The InChIKey is GFHLRUOCMQKBPT-VHFFOYQJSA-N. The full InChI is InChI=1S/C25H30N6OS.C24H30N6O2.2C24H27N5O3S/c1-13-9-14(2)27-25-21(13)22(26)23(33-25)24(32)29-16-6-7-19-15(10-16)3-8-20(30-19)31-11-17-4-5-18(12-31)28-17;1-3-29-9-8-16-10-17(12-26-23(16)29)24(31)27-18-5-6-20-15(11-18)4-7-22(28-20)30-13-19(25)21(14-30)32-2;2*1-13-2-5-18-20(26)21(33-23(18)27-13)22(30)28-16-6-14-3-4-17(7-19(14)32-10-16)29-9-15(25)8-24(29)11-31-12-24/h3,8-9,16-18,28H,4-7,10-12,26H2,1-2H3,(H,29,32);4,7-10,12,18-19,21H,3,5-6,11,13-14,25H2,1-2H3,(H,27,31);2*2-5,7,15-16H,6,8-12,25-26H2,1H3,(H,28,30)/t16-,17?,18?;18-,19-,21-;15-,16+;15-,16-/m0001/s1.

What are the key properties of 3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?

3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 1828.32 g/mol, XLogP of 9.47, 14 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-7-[(7S)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(7R)-7-amino-2-oxa-5-azaspiro[3.4]octan-5-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 167573467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).