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

C72H105BrN18O5S3 — CID 163739525

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

7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163739525) has the molecular formula C72H105BrN18O5S3 and a molecular weight of 1478.86 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;5-N-tert-butyl-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163739525
• Molecular Formula: C72H105BrN18O5S3
• Molecular Weight: 1478.86 g/mol
• Exact Mass: 1476.69
• IUPAC Name: 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• SMILES: CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.C[C@@H]1CN(CCN)C[C@@H](C)O1.C[C@@H]1CN(CCNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)C[C@@H](C)O1.C[C@@H]1CN(CCNc2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)C[C@@H](C)O1
• InChI: InChI=1S/C27H40N6O2S.C19H23BrN4OS.C18H24N6OS.C8H18N2O/c1-18-16-32(17-19(2)35-18)12-11-28-20-15-24(31-27(3,4)5)30-21-14-23(36-26(20)21)22-9-10-29-33(22)25-8-6-7-13-34-25;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;1-11-9-24(10-12(2)25-11)6-5-20-14-8-17(19)22-15-7-16(26-18(14)15)13-3-4-21-23-13;1-7-5-10(4-3-9)6-8(2)11-7/h9-10,14-15,18-19,25H,6-8,11-13,16-17H2,1-5H3,(H2,28,30,31);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,21,23)(H3,19,20,22);7-8H,3-6,9H2,1-2H3/t18-,19-,25?;;11-,12-;7-,8-/m1.11/s1
• InChIKey: LGOCRAOKBLEMHN-WIBCCJJOSA-N
• XLogP: 14.27
• TPSA: 259.02 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1478.86
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

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;5-N-tert-butyl-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The IUPAC name of 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 163739525) is 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

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;5-N-tert-butyl-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The canonical SMILES for 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.C[C@@H]1CN(CCN)C[C@@H](C)O1.C[C@@H]1CN(CCNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)C[C@@H](C)O1.C[C@@H]1CN(CCNc2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)C[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;5-N-tert-butyl-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is LGOCRAOKBLEMHN-WIBCCJJOSA-N. The full InChI is InChI=1S/C27H40N6O2S.C19H23BrN4OS.C18H24N6OS.C8H18N2O/c1-18-16-32(17-19(2)35-18)12-11-28-20-15-24(31-27(3,4)5)30-21-14-23(36-26(20)21)22-9-10-29-33(22)25-8-6-7-13-34-25;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;1-11-9-24(10-12(2)25-11)6-5-20-14-8-17(19)22-15-7-16(26-18(14)15)13-3-4-21-23-13;1-7-5-10(4-3-9)6-8(2)11-7/h9-10,14-15,18-19,25H,6-8,11-13,16-17H2,1-5H3,(H2,28,30,31);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,21,23)(H3,19,20,22);7-8H,3-6,9H2,1-2H3/t18-,19-,25?;;11-,12-;7-,8-/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;5-N-tert-butyl-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 1478.86 g/mol, XLogP of 14.27, 17 rotatable bonds, 7 hydrogen bond donors, and 25 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;5-N-tert-butyl-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163739525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).