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

C62H70ClN21O5S4 — CID 163434684

About 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163434684) has the molecular formula C62H70ClN21O5S4 and a molecular weight of 1353.10 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;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163434684
• Molecular Formula: C62H70ClN21O5S4
• Molecular Weight: 1353.10 g/mol
• Exact Mass: 1351.44
• IUPAC Name: 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• SMILES: Cc1ccc(S(=O)(=O)O)cc1.Cn1ccc(CN)n1.Cn1ccc(CNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)n1.Cn1ccc(CNc2cc(N)nc3cc(-c4ccnn4C4CCCCO4)sc23)n1.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1
• InChI: InChI=1S/C20H23N7OS.C15H15ClN4OS.C15H15N7S.C7H8O3S.C5H9N3/c1-26-8-6-13(25-26)12-22-14-11-18(21)24-15-10-17(29-20(14)15)16-5-7-23-27(16)19-4-2-3-9-28-19;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;1-22-5-3-9(21-22)8-17-11-7-14(16)19-12-6-13(23-15(11)12)10-2-4-18-20-10;1-6-2-4-7(5-3-6)11(8,9)10;1-8-3-2-5(4-6)7-8/h5-8,10-11,19H,2-4,9,12H2,1H3,(H3,21,22,24);4-5,7-8,14H,1-3,6H2,(H2,17,19);2-7H,8H2,1H3,(H,18,20)(H3,16,17,19);2-5H,1H3,(H,8,9,10);2-3H,4,6H2,1H3
• InChIKey: LJGZLEAXHXDHSY-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 357.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1353.10
LogP ≤ 5	11.62
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;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 163434684) is 7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is Cc1ccc(S(=O)(=O)O)cc1.Cn1ccc(CN)n1.Cn1ccc(CNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)n1.Cn1ccc(CNc2cc(N)nc3cc(-c4ccnn4C4CCCCO4)sc23)n1.Nc1cc(Cl)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;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is LJGZLEAXHXDHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS.C15H15ClN4OS.C15H15N7S.C7H8O3S.C5H9N3/c1-26-8-6-13(25-26)12-22-14-11-18(21)24-15-10-17(29-20(14)15)16-5-7-23-27(16)19-4-2-3-9-28-19;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;1-22-5-3-9(21-22)8-17-11-7-14(16)19-12-6-13(23-15(11)12)10-2-4-18-20-10;1-6-2-4-7(5-3-6)11(8,9)10;1-8-3-2-5(4-6)7-8/h5-8,10-11,19H,2-4,9,12H2,1H3,(H3,21,22,24);4-5,7-8,14H,1-3,6H2,(H2,17,19);2-7H,8H2,1H3,(H,18,20)(H3,16,17,19);2-5H,1H3,(H,8,9,10);2-3H,4,6H2,1H3.

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;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 1353.10 g/mol, XLogP of 11.62, 13 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;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163434684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).