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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C60H84BrN15O2S3 — CID 163437855

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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163437855) has the molecular formula C60H84BrN15O2S3 and a molecular weight of 1223.54 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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163437855
• Molecular Formula: C60H84BrN15O2S3
• Molecular Weight: 1223.54 g/mol
• Exact Mass: 1221.53
• 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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• SMILES: CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC(C)CN.CC(C)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC(C)CNc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12
• InChI: InChI=1S/C23H33N5OS.C19H23BrN4OS.C14H17N5S.C4H11N/c1-15(2)14-24-16-13-20(27-23(3,4)5)26-17-12-19(30-22(16)17)18-9-10-25-28(18)21-8-6-7-11-29-21;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;1-8(2)7-16-10-6-13(15)18-11-5-12(20-14(10)11)9-3-4-17-19-9;1-4(2)3-5/h9-10,12-13,15,21H,6-8,11,14H2,1-5H3,(H2,24,26,27);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);3-6,8H,7H2,1-2H3,(H,17,19)(H3,15,16,18);4H,3,5H2,1-2H3
• InChIKey: AWAKCYBQWLATMO-UHFFFAOYSA-N
• XLogP: 15.91
• TPSA: 221.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1223.54
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 163437855) 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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC(C)CN.CC(C)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC(C)CNc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12.

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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is AWAKCYBQWLATMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5OS.C19H23BrN4OS.C14H17N5S.C4H11N/c1-15(2)14-24-16-13-20(27-23(3,4)5)26-17-12-19(30-22(16)17)18-9-10-25-28(18)21-8-6-7-11-29-21;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;1-8(2)7-16-10-6-13(15)18-11-5-12(20-14(10)11)9-3-4-17-19-9;1-4(2)3-5/h9-10,12-13,15,21H,6-8,11,14H2,1-5H3,(H2,24,26,27);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);3-6,8H,7H2,1-2H3,(H,17,19)(H3,15,16,18);4H,3,5H2,1-2H3.

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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 1223.54 g/mol, XLogP of 15.91, 14 rotatable bonds, 7 hydrogen bond donors, and 19 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-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163437855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).