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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C63H78BrN21O2S3 — CID 163468911

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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163468911) has the molecular formula C63H78BrN21O2S3 and a molecular weight of 1337.57 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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163468911
• Molecular Formula: C63H78BrN21O2S3
• Molecular Weight: 1337.57 g/mol
• Exact Mass: 1335.50
• 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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• SMILES: CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.Cn1cnc(CN)c1.Cn1cnc(CNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)c1.Cn1cnc(CNc2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)c1
• InChI: InChI=1S/C24H31N7OS.C19H23BrN4OS.C15H15N7S.C5H9N3/c1-24(2,3)29-21-12-17(25-13-16-14-30(4)15-26-16)23-18(28-21)11-20(33-23)19-8-9-27-31(19)22-7-5-6-10-32-22;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;1-22-7-9(18-8-22)6-17-11-5-14(16)20-12-4-13(23-15(11)12)10-2-3-19-21-10;1-8-3-5(2-6)7-4-8/h8-9,11-12,14-15,22H,5-7,10,13H2,1-4H3,(H2,25,28,29);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);2-5,7-8H,6H2,1H3,(H,19,21)(H3,16,17,20);3-4H,2,6H2,1H3
• InChIKey: BUYWKYIXRJZZJN-UHFFFAOYSA-N
• XLogP: 13.74
• TPSA: 275.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1337.57
LogP ≤ 5	13.74
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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 163468911) 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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.Cn1cnc(CN)c1.Cn1cnc(CNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)c1.Cn1cnc(CNc2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)c1.

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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is BUYWKYIXRJZZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7OS.C19H23BrN4OS.C15H15N7S.C5H9N3/c1-24(2,3)29-21-12-17(25-13-16-14-30(4)15-26-16)23-18(28-21)11-20(33-23)19-8-9-27-31(19)22-7-5-6-10-32-22;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;1-22-7-9(18-8-22)6-17-11-5-14(16)20-12-4-13(23-15(11)12)10-2-3-19-21-10;1-8-3-5(2-6)7-4-8/h8-9,11-12,14-15,22H,5-7,10,13H2,1-4H3,(H2,25,28,29);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);2-5,7-8H,6H2,1H3,(H,19,21)(H3,16,17,20);3-4H,2,6H2,1H3.

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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 1337.57 g/mol, XLogP of 13.74, 14 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-[(1-methylimidazol-4-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(1-methylimidazol-4-yl)methanamine;7-N-[(1-methylimidazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163468911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).