1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine

C84H102N26O4S5 — CID 163641900

About 1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine

1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine (PubChem CID 163641900) has the molecular formula C84H102N26O4S5 and a molecular weight of 1700.25 g/mol. Its IUPAC name is 1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine.

Molecular Properties

• Compound Name: 1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine
• PubChem CID: 163641900
• Molecular Formula: C84H102N26O4S5
• Molecular Weight: 1700.25 g/mol
• Exact Mass: 1698.72
• IUPAC Name: 1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine
• SMILES: COC1(C)CCN(c2cc(N)nc3cc(-c4ccn[nH]4)sc23)CC1.C[C@@H]1CN(c2cc(N)nc3cc(-c4ccn[nH]4)sc23)C[C@H](C)O1.C[C@H]1CN(c2cc(N)nc3cc(-c4ccn[nH]4)sc23)C[C@H](C)O1.Nc1cc(N2CCCC(O)C2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(N2CCN(C3CCCCC3)CC2)c2sc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C20H26N6S.C17H21N5OS.2C16H19N5OS.C15H17N5OS/c21-19-13-17(20-16(23-19)12-18(27-20)15-6-7-22-24-15)26-10-8-25(9-11-26)14-4-2-1-3-5-14;1-17(23-2)4-7-22(8-5-17)13-10-15(18)20-12-9-14(24-16(12)13)11-3-6-19-21-11;2*1-9-7-21(8-10(2)22-9)13-6-15(17)19-12-5-14(23-16(12)13)11-3-4-18-20-11;16-14-7-12(20-5-1-2-9(21)8-20)15-11(18-14)6-13(22-15)10-3-4-17-19-10/h6-7,12-14H,1-5,8-11H2,(H2,21,23)(H,22,24);3,6,9-10H,4-5,7-8H2,1-2H3,(H2,18,20)(H,19,21);2*3-6,9-10H,7-8H2,1-2H3,(H2,17,19)(H,18,20);3-4,6-7,9,21H,1-2,5,8H2,(H2,16,18)(H,17,19)/t;;9-,10+;9-,10-;/m...0./s1
• InChIKey: IEYLLYUUHOVRLL-RBVBSDEASA-N
• XLogP: 14.99
• TPSA: 405.31 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 12
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1700.25
LogP ≤ 5	14.99
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine?

The IUPAC name of 1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine (CID 163641900) is 1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine.

What is the SMILES notation for 1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine?

The canonical SMILES for 1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine is COC1(C)CCN(c2cc(N)nc3cc(-c4ccn[nH]4)sc23)CC1.C[C@@H]1CN(c2cc(N)nc3cc(-c4ccn[nH]4)sc23)C[C@H](C)O1.C[C@H]1CN(c2cc(N)nc3cc(-c4ccn[nH]4)sc23)C[C@H](C)O1.Nc1cc(N2CCCC(O)C2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(N2CCN(C3CCCCC3)CC2)c2sc(-c3ccn[nH]3)cc2n1.

What is the InChIKey of 1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine?

The InChIKey is IEYLLYUUHOVRLL-RBVBSDEASA-N. The full InChI is InChI=1S/C20H26N6S.C17H21N5OS.2C16H19N5OS.C15H17N5OS/c21-19-13-17(20-16(23-19)12-18(27-20)15-6-7-22-24-15)26-10-8-25(9-11-26)14-4-2-1-3-5-14;1-17(23-2)4-7-22(8-5-17)13-10-15(18)20-12-9-14(24-16(12)13)11-3-6-19-21-11;2*1-9-7-21(8-10(2)22-9)13-6-15(17)19-12-5-14(23-16(12)13)11-3-4-18-20-11;16-14-7-12(20-5-1-2-9(21)8-20)15-11(18-14)6-13(22-15)10-3-4-17-19-10/h6-7,12-14H,1-5,8-11H2,(H2,21,23)(H,22,24);3,6,9-10H,4-5,7-8H2,1-2H3,(H2,18,20)(H,19,21);2*3-6,9-10H,7-8H2,1-2H3,(H2,17,19)(H,18,20);3-4,6-7,9,21H,1-2,5,8H2,(H2,16,18)(H,17,19)/t;;9-,10+;9-,10-;/m...0./s1.

What are the key properties of 1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine?

1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine has a molecular weight of 1700.25 g/mol, XLogP of 14.99, 12 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-(4-methoxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine is sourced from PubChem (CID 163641900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).