7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine

C75H84BrF6N15O2S3 — CID 163567852

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-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]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-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163567852) has the molecular formula C75H84BrF6N15O2S3 and a molecular weight of 1517.69 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-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]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-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163567852
• Molecular Formula: C75H84BrF6N15O2S3
• Molecular Weight: 1517.69 g/mol
• Exact Mass: 1515.52
• 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-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine
• SMILES: CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.C[C@H](Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12)c1cccc(C(F)(F)F)c1.C[C@H](Nc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12)c1cccc(C(F)(F)F)c1.Cc1cccc([C@H](C)N)c1
• InChI: InChI=1S/C28H32F3N5OS.C19H23BrN4OS.C19H16F3N5S.C9H13N/c1-17(18-8-7-9-19(14-18)28(29,30)31)33-21-16-24(35-27(2,3)4)34-20-15-23(38-26(20)21)22-11-12-32-36(22)25-10-5-6-13-37-25;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;1-10(11-3-2-4-12(7-11)19(20,21)22)25-15-9-17(23)26-14-8-16(28-18(14)15)13-5-6-24-27-13;1-7-4-3-5-9(6-7)8(2)10/h7-9,11-12,14-17,25H,5-6,10,13H2,1-4H3,(H2,33,34,35);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);2-10H,1H3,(H,24,27)(H3,23,25,26);3-6,8H,10H2,1-2H3/t17-,25?;;10-;8-/m0.00/s1
• InChIKey: FWTDBLKXMMPJIY-JSRYEDRNSA-N
• XLogP: 21.57
• TPSA: 221.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1517.69
LogP ≤ 5	21.57
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-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]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-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine (CID 163567852) 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-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]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-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]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-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine is CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.C[C@H](Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12)c1cccc(C(F)(F)F)c1.C[C@H](Nc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12)c1cccc(C(F)(F)F)c1.Cc1cccc([C@H](C)N)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-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is FWTDBLKXMMPJIY-JSRYEDRNSA-N. The full InChI is InChI=1S/C28H32F3N5OS.C19H23BrN4OS.C19H16F3N5S.C9H13N/c1-17(18-8-7-9-19(14-18)28(29,30)31)33-21-16-24(35-27(2,3)4)34-20-15-23(38-26(20)21)22-11-12-32-36(22)25-10-5-6-13-37-25;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;1-10(11-3-2-4-12(7-11)19(20,21)22)25-15-9-17(23)26-14-8-16(28-18(14)15)13-5-6-24-27-13;1-7-4-3-5-9(6-7)8(2)10/h7-9,11-12,14-17,25H,5-6,10,13H2,1-4H3,(H2,33,34,35);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);2-10H,1H3,(H,24,27)(H3,23,25,26);3-6,8H,10H2,1-2H3/t17-,25?;;10-;8-/m0.00/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-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]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-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 1517.69 g/mol, XLogP of 21.57, 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-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine;(1S)-1-(3-methylphenyl)ethanamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163567852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).