(2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol

C56H64N20O4S4 — CID 163529422

About (2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol

(2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol (PubChem CID 163529422) has the molecular formula C56H64N20O4S4 and a molecular weight of 1209.53 g/mol. Its IUPAC name is (2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol.

Molecular Properties

• Compound Name: (2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
• PubChem CID: 163529422
• Molecular Formula: C56H64N20O4S4
• Molecular Weight: 1209.53 g/mol
• Exact Mass: 1208.43
• IUPAC Name: (2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
• SMILES: C[C@H](O)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.Nc1cc(NCCCO)c2sc(-n3cccn3)cc2n1.Nc1cc(N[C@@H]2CC[C@@H](O)C2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@@H]2CC[C@H](O)C2)c2sc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/2C15H17N5OS.2C13H15N5OS/c2*16-14-7-12(18-8-1-2-9(21)5-8)15-11(19-14)6-13(22-15)10-3-4-17-20-10;1-7(19)6-15-9-5-12(14)17-10-4-11(20-13(9)10)8-2-3-16-18-8;14-11-7-9(15-3-2-6-19)13-10(17-11)8-12(20-13)18-5-1-4-16-18/h2*3-4,6-9,21H,1-2,5H2,(H,17,20)(H3,16,18,19);2-5,7,19H,6H2,1H3,(H,16,18)(H3,14,15,17);1,4-5,7-8,19H,2-3,6H2,(H3,14,15,17)/t8-,9+;8-,9-;7-;/m110./s1
• InChIKey: DRQCUGVLUNFFIQ-WRZQWHEXSA-N
• XLogP: 9.11
• TPSA: 388.54 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1209.53
LogP ≤ 5	9.11
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?

The IUPAC name of (2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol (CID 163529422) is (2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol.

What is the SMILES notation for (2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?

The canonical SMILES for (2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol is C[C@H](O)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.Nc1cc(NCCCO)c2sc(-n3cccn3)cc2n1.Nc1cc(N[C@@H]2CC[C@@H](O)C2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@@H]2CC[C@H](O)C2)c2sc(-c3ccn[nH]3)cc2n1.

What is the InChIKey of (2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?

The InChIKey is DRQCUGVLUNFFIQ-WRZQWHEXSA-N. The full InChI is InChI=1S/2C15H17N5OS.2C13H15N5OS/c2*16-14-7-12(18-8-1-2-9(21)5-8)15-11(19-14)6-13(22-15)10-3-4-17-20-10;1-7(19)6-15-9-5-12(14)17-10-4-11(20-13(9)10)8-2-3-16-18-8;14-11-7-9(15-3-2-6-19)13-10(17-11)8-12(20-13)18-5-1-4-16-18/h2*3-4,6-9,21H,1-2,5H2,(H,17,20)(H3,16,18,19);2-5,7,19H,6H2,1H3,(H,16,18)(H3,14,15,17);1,4-5,7-8,19H,2-3,6H2,(H3,14,15,17)/t8-,9+;8-,9-;7-;/m110./s1.

What are the key properties of (2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?

(2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol has a molecular weight of 1209.53 g/mol, XLogP of 9.11, 15 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 163529422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).