3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid

C73H87BBr2IN11O5S4 — CID 163477189

IUPAC3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid
SMILESCC(C)(C)Nc1cc(Br)c2sc(-c3ccccc3)cc2n1.CC(C)(C)Nc1cc(Br)c2sc(I)cc2n1.CC(C)(C)Nc1cc(NCCCO)c2sc(-c3ccccc3)cc2n1.NCCCO.Nc1cc(NCCCO)c2sc(-c3ccccc3)cc2n1.OB(O)c1ccccc1
InChIInChI=1S/C20H25N3OS.C17H17BrN2S.C16H17N3OS.C11H12BrIN2S.C6H7BO2.C3H9NO/c1-20(2,3)23-18-13-15(21-10-7-11-24)19-16(22-18)12-17(25-19)14-8-5-4-6-9-14;1-17(2,3)20-15-9-12(18)16-13(19-15)10-14(21-16)11-7-5-4-6-8-11;17-15-10-12(18-7-4-8-20)16-13(19-15)9-14(21-16)11-5-2-1-3-6-11;1-11(2,3)15-9-4-6(12)10-7(14-9)5-8(13)16-10;8-7(9)6-4-2-1-3-5-6;4-2-1-3-5/h4-6,8-9,12-13,24H,7,10-11H2,1-3H3,(H2,21,22,23);4-10H,1-3H3,(H,19,20);1-3,5-6,9-10,20H,4,7-8H2,(H3,17,18,19);4-5H,1-3H3,(H,14,15);1-5,8-9H;5H,1-4H2
InChIKeyCBLNNKPUTREMGJ-UHFFFAOYSA-N
MW1624.36 g/mol
LogP17.81
Rot. Bonds17

About 3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid

3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid (PubChem CID 163477189) has the molecular formula C73H87BBr2IN11O5S4 and a molecular weight of 1624.36 g/mol. Its IUPAC name is 3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid.

Molecular Properties

Compound Name3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid
PubChem CID163477189
Molecular FormulaC73H87BBr2IN11O5S4
Molecular Weight1624.36 g/mol
Exact Mass1621.33
IUPAC Name3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid
SMILESCC(C)(C)Nc1cc(Br)c2sc(-c3ccccc3)cc2n1.CC(C)(C)Nc1cc(Br)c2sc(I)cc2n1.CC(C)(C)Nc1cc(NCCCO)c2sc(-c3ccccc3)cc2n1.NCCCO.Nc1cc(NCCCO)c2sc(-c3ccccc3)cc2n1.OB(O)c1ccccc1
InChIInChI=1S/C20H25N3OS.C17H17BrN2S.C16H17N3OS.C11H12BrIN2S.C6H7BO2.C3H9NO/c1-20(2,3)23-18-13-15(21-10-7-11-24)19-16(22-18)12-17(25-19)14-8-5-4-6-9-14;1-17(2,3)20-15-9-12(18)16-13(19-15)10-14(21-16)11-7-5-4-6-8-11;17-15-10-12(18-7-4-8-20)16-13(19-15)9-14(21-16)11-5-2-1-3-6-11;1-11(2,3)15-9-4-6(12)10-7(14-9)5-8(13)16-10;8-7(9)6-4-2-1-3-5-6;4-2-1-3-5/h4-6,8-9,12-13,24H,7,10-11H2,1-3H3,(H2,21,22,23);4-10H,1-3H3,(H,19,20);1-3,5-6,9-10,20H,4,7-8H2,(H3,17,18,19);4-5H,1-3H3,(H,14,15);1-5,8-9H;5H,1-4H2
InChIKeyCBLNNKPUTREMGJ-UHFFFAOYSA-N
XLogP17.81
TPSA264.90 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001624.36
LogP ≤ 517.81
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid?
The IUPAC name of 3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid (CID 163477189) is 3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid.
What is the SMILES notation for 3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid?
The canonical SMILES for 3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid is CC(C)(C)Nc1cc(Br)c2sc(-c3ccccc3)cc2n1.CC(C)(C)Nc1cc(Br)c2sc(I)cc2n1.CC(C)(C)Nc1cc(NCCCO)c2sc(-c3ccccc3)cc2n1.NCCCO.Nc1cc(NCCCO)c2sc(-c3ccccc3)cc2n1.OB(O)c1ccccc1.
What is the InChIKey of 3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid?
The InChIKey is CBLNNKPUTREMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS.C17H17BrN2S.C16H17N3OS.C11H12BrIN2S.C6H7BO2.C3H9NO/c1-20(2,3)23-18-13-15(21-10-7-11-24)19-16(22-18)12-17(25-19)14-8-5-4-6-9-14;1-17(2,3)20-15-9-12(18)16-13(19-15)10-14(21-16)11-7-5-4-6-8-11;17-15-10-12(18-7-4-8-20)16-13(19-15)9-14(21-16)11-5-2-1-3-6-11;1-11(2,3)15-9-4-6(12)10-7(14-9)5-8(13)16-10;8-7(9)6-4-2-1-3-5-6;4-2-1-3-5/h4-6,8-9,12-13,24H,7,10-11H2,1-3H3,(H2,21,22,23);4-10H,1-3H3,(H,19,20);1-3,5-6,9-10,20H,4,7-8H2,(H3,17,18,19);4-5H,1-3H3,(H,14,15);1-5,8-9H;5H,1-4H2.
What are the key properties of 3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid?
3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid has a molecular weight of 1624.36 g/mol, XLogP of 17.81, 17 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-phenylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;3-aminopropan-1-ol;7-bromo-N-tert-butyl-2-iodothieno[3,2-b]pyridin-5-amine;7-bromo-N-tert-butyl-2-phenylthieno[3,2-b]pyridin-5-amine;3-[[5-(tert-butylamino)-2-phenylthieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;phenylboronic acid is sourced from PubChem (CID 163477189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).