3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine

C61H65N23O3S4 — CID 163732982

About 3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine

3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine (PubChem CID 163732982) has the molecular formula C61H65N23O3S4 and a molecular weight of 1296.62 g/mol. Its IUPAC name is 3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine.

Molecular Properties

• Compound Name: 3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine
• PubChem CID: 163732982
• Molecular Formula: C61H65N23O3S4
• Molecular Weight: 1296.62 g/mol
• Exact Mass: 1295.45
• IUPAC Name: 3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine
• SMILES: C[C@@H]1COCCN1c1cc(N)nc2cc(-c3ccn[nH]3)sc12.Nc1cc(N2CC3CC(C2)N3)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(N2CC3CC(C2)N3C=O)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(N2CCN(C=O)CC2)c2sc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C16H16N6OS.C15H16N6OS.C15H16N6S.C15H17N5OS/c17-15-5-13(21-6-9-3-10(7-21)22(9)8-23)16-12(19-15)4-14(24-16)11-1-2-18-20-11;16-14-8-12(21-5-3-20(9-22)4-6-21)15-11(18-14)7-13(23-15)10-1-2-17-19-10;16-14-5-12(21-6-8-3-9(7-21)18-8)15-11(19-14)4-13(22-15)10-1-2-17-20-10;1-9-8-21-5-4-20(9)12-7-14(16)18-11-6-13(22-15(11)12)10-2-3-17-19-10/h1-2,4-5,8-10H,3,6-7H2,(H2,17,19)(H,18,20);1-2,7-9H,3-6H2,(H2,16,18)(H,17,19);1-2,4-5,8-9,18H,3,6-7H2,(H2,16,19)(H,17,20);2-3,6-7,9H,4-5,8H2,1H3,(H2,16,18)(H,17,19)/t;;;9-/m...1/s1
• InChIKey: LBEXQQUIEPPULV-PQIRLWHYSA-N
• XLogP: 7.55
• TPSA: 345.20 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1296.62
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine?

The IUPAC name of 3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine (CID 163732982) is 3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine.

What is the SMILES notation for 3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine?

The canonical SMILES for 3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine is C[C@@H]1COCCN1c1cc(N)nc2cc(-c3ccn[nH]3)sc12.Nc1cc(N2CC3CC(C2)N3)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(N2CC3CC(C2)N3C=O)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(N2CCN(C=O)CC2)c2sc(-c3ccn[nH]3)cc2n1.

What is the InChIKey of 3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine?

The InChIKey is LBEXQQUIEPPULV-PQIRLWHYSA-N. The full InChI is InChI=1S/C16H16N6OS.C15H16N6OS.C15H16N6S.C15H17N5OS/c17-15-5-13(21-6-9-3-10(7-21)22(9)8-23)16-12(19-15)4-14(24-16)11-1-2-18-20-11;16-14-8-12(21-5-3-20(9-22)4-6-21)15-11(18-14)7-13(23-15)10-1-2-17-19-10;16-14-5-12(21-6-8-3-9(7-21)18-8)15-11(19-14)4-13(22-15)10-1-2-17-20-10;1-9-8-21-5-4-20(9)12-7-14(16)18-11-6-13(22-15(11)12)10-2-3-17-19-10/h1-2,4-5,8-10H,3,6-7H2,(H2,17,19)(H,18,20);1-2,7-9H,3-6H2,(H2,16,18)(H,17,19);1-2,4-5,8-9,18H,3,6-7H2,(H2,16,19)(H,17,20);2-3,6-7,9H,4-5,8H2,1H3,(H2,16,18)(H,17,19)/t;;;9-/m...1/s1.

What are the key properties of 3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine?

3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine has a molecular weight of 1296.62 g/mol, XLogP of 7.55, 10 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carbaldehyde;4-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperazine-1-carbaldehyde;7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine is sourced from PubChem (CID 163732982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).