7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine

C66H90BrN15O5S3 — CID 163639766

About 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine

7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine (PubChem CID 163639766) has the molecular formula C66H90BrN15O5S3 and a molecular weight of 1349.65 g/mol. Its IUPAC name is 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine.

Molecular Properties

• Compound Name: 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine
• PubChem CID: 163639766
• Molecular Formula: C66H90BrN15O5S3
• Molecular Weight: 1349.65 g/mol
• Exact Mass: 1347.56
• IUPAC Name: 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine
• SMILES: CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.C[C@@H]1CN(c2cc(N)nc3cc(-c4ccn[nH]4)sc23)C[C@@H](C)O1.C[C@@H]1CN(c2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)C[C@@H](C)O1.C[C@@H]1CNC[C@@H](C)O1
• InChI: InChI=1S/C25H35N5O2S.C19H23BrN4OS.C16H19N5OS.C6H13NO/c1-16-14-29(15-17(2)32-16)20-13-22(28-25(3,4)5)27-18-12-21(33-24(18)20)19-9-10-26-30(19)23-8-6-7-11-31-23;1-19(2,3)23-16-10-12(20)18-13(22-16)11-15(26-18)14-7-8-21-24(14)17-6-4-5-9-25-17;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;1-5-3-7-4-6(2)8-5/h9-10,12-13,16-17,23H,6-8,11,14-15H2,1-5H3,(H,27,28);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);3-6,9-10H,7-8H2,1-2H3,(H2,17,19)(H,18,20);5-7H,3-4H2,1-2H3/t16-,17-,23?;;9-,10-;5-,6-/m1.11/s1
• InChIKey: IDGBTQWFLNUYTP-CZBYGIJMSA-N
• XLogP: 14.78
• TPSA: 217.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1349.65
LogP ≤ 5	14.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine?

The IUPAC name of 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine (CID 163639766) is 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine.

What is the SMILES notation for 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine?

The canonical SMILES for 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine is CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.C[C@@H]1CN(c2cc(N)nc3cc(-c4ccn[nH]4)sc23)C[C@@H](C)O1.C[C@@H]1CN(c2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)C[C@@H](C)O1.C[C@@H]1CNC[C@@H](C)O1.

What is the InChIKey of 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine?

The InChIKey is IDGBTQWFLNUYTP-CZBYGIJMSA-N. The full InChI is InChI=1S/C25H35N5O2S.C19H23BrN4OS.C16H19N5OS.C6H13NO/c1-16-14-29(15-17(2)32-16)20-13-22(28-25(3,4)5)27-18-12-21(33-24(18)20)19-9-10-26-30(19)23-8-6-7-11-31-23;1-19(2,3)23-16-10-12(20)18-13(22-16)11-15(26-18)14-7-8-21-24(14)17-6-4-5-9-25-17;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;1-5-3-7-4-6(2)8-5/h9-10,12-13,16-17,23H,6-8,11,14-15H2,1-5H3,(H,27,28);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);3-6,9-10H,7-8H2,1-2H3,(H2,17,19)(H,18,20);5-7H,3-4H2,1-2H3/t16-,17-,23?;;9-,10-;5-,6-/m1.11/s1.

What are the key properties of 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine?

7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine has a molecular weight of 1349.65 g/mol, XLogP of 14.78, 9 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R,6R)-2,6-dimethylmorpholine;7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine is sourced from PubChem (CID 163639766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).