7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C65H85ClN18O8S4 — CID 163994943

About 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163994943) has the molecular formula C65H85ClN18O8S4 and a molecular weight of 1410.23 g/mol. Its IUPAC name is 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163994943
• Molecular Formula: C65H85ClN18O8S4
• Molecular Weight: 1410.23 g/mol
• Exact Mass: 1408.54
• IUPAC Name: 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• SMILES: Cc1ccc(S(=O)(=O)O)cc1.NCCN1CCOCC1.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1.Nc1cc(NCCN2CCOCC2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(NCCN2CCOCC2)c2sc(-c3ccnn3C3CCCCO3)cc2n1
• InChI: InChI=1S/C21H28N6O2S.C16H20N6OS.C15H15ClN4OS.C7H8O3S.C6H14N2O/c22-19-14-15(23-6-7-26-8-11-28-12-9-26)21-16(25-19)13-18(30-21)17-4-5-24-27(17)20-3-1-2-10-29-20;17-15-10-12(18-3-4-22-5-7-23-8-6-22)16-13(20-15)9-14(24-16)11-1-2-19-21-11;16-9-7-13(17)19-10-8-12(22-15(9)10)11-4-5-18-20(11)14-3-1-2-6-21-14;1-6-2-4-7(5-3-6)11(8,9)10;7-1-2-8-3-5-9-6-4-8/h4-5,13-14,20H,1-3,6-12H2,(H3,22,23,25);1-2,9-10H,3-8H2,(H,19,21)(H3,17,18,20);4-5,7-8,14H,1-3,6H2,(H2,17,19);2-5H,1H3,(H,8,9,10);1-7H2
• InChIKey: JWQUFMBGIGMLKA-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 341.37 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1410.23
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The IUPAC name of 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 163994943) is 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

What is the SMILES notation for 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The canonical SMILES for 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is Cc1ccc(S(=O)(=O)O)cc1.NCCN1CCOCC1.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1.Nc1cc(NCCN2CCOCC2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(NCCN2CCOCC2)c2sc(-c3ccnn3C3CCCCO3)cc2n1.

What is the InChIKey of 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is JWQUFMBGIGMLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2S.C16H20N6OS.C15H15ClN4OS.C7H8O3S.C6H14N2O/c22-19-14-15(23-6-7-26-8-11-28-12-9-26)21-16(25-19)13-18(30-21)17-4-5-24-27(17)20-3-1-2-10-29-20;17-15-10-12(18-3-4-22-5-7-23-8-6-22)16-13(20-15)9-14(24-16)11-1-2-19-21-11;16-9-7-13(17)19-10-8-12(22-15(9)10)11-4-5-18-20(11)14-3-1-2-6-21-14;1-6-2-4-7(5-3-6)11(8,9)10;7-1-2-8-3-5-9-6-4-8/h4-5,13-14,20H,1-3,6-12H2,(H3,22,23,25);1-2,9-10H,3-8H2,(H,19,21)(H3,17,18,20);4-5,7-8,14H,1-3,6H2,(H2,17,19);2-5H,1H3,(H,8,9,10);1-7H2.

What are the key properties of 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 1410.23 g/mol, XLogP of 9.81, 16 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;2-morpholin-4-ylethanamine;7-N-(2-morpholin-4-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-morpholin-4-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163994943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).