1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine

C26H26N6OS — CID 141384311

IUPAC1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine
SMILESc1ccc(Cn2cc(CNNc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)cc1
InChIInChI=1S/C26H26N6OS/c1-2-6-19(7-3-1)17-32-18-20(21-8-4-5-9-23(21)32)16-27-30-26-28-22-10-15-34-24(22)25(29-26)31-11-13-33-14-12-31/h1-10,15,18,27H,11-14,16-17H2,(H,28,29,30)
InChIKeyKCTPRDJSIZOFNK-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.65
Rot. Bonds7

About 1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine

1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine (PubChem CID 141384311) has the molecular formula C26H26N6OS and a molecular weight of 470.60 g/mol. Its IUPAC name is 1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine
PubChem CID141384311
Molecular FormulaC26H26N6OS
Molecular Weight470.60 g/mol
Exact Mass470.19
IUPAC Name1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine
SMILESc1ccc(Cn2cc(CNNc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)cc1
InChIInChI=1S/C26H26N6OS/c1-2-6-19(7-3-1)17-32-18-20(21-8-4-5-9-23(21)32)16-27-30-26-28-22-10-15-34-24(22)25(29-26)31-11-13-33-14-12-31/h1-10,15,18,27H,11-14,16-17H2,(H,28,29,30)
InChIKeyKCTPRDJSIZOFNK-UHFFFAOYSA-N
XLogP4.65
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine?
The IUPAC name of 1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine (CID 141384311) is 1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine.
What is the SMILES notation for 1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine?
The canonical SMILES for 1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine is c1ccc(Cn2cc(CNNc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)cc1.
What is the InChIKey of 1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine?
The InChIKey is KCTPRDJSIZOFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6OS/c1-2-6-19(7-3-1)17-32-18-20(21-8-4-5-9-23(21)32)16-27-30-26-28-22-10-15-34-24(22)25(29-26)31-11-13-33-14-12-31/h1-10,15,18,27H,11-14,16-17H2,(H,28,29,30).
What are the key properties of 1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine?
1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine has a molecular weight of 470.60 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylindol-3-yl)methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine is sourced from PubChem (CID 141384311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).