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

C26H25ClN6OS — CID 141384288

IUPAC1-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine
SMILESClc1cccc(Cn2cc(CNNc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)c1
InChIInChI=1S/C26H25ClN6OS/c27-20-5-3-4-18(14-20)16-33-17-19(21-6-1-2-7-23(21)33)15-28-31-26-29-22-8-13-35-24(22)25(30-26)32-9-11-34-12-10-32/h1-8,13-14,17,28H,9-12,15-16H2,(H,29,30,31)
InChIKeyIKBUQIPBWBECGK-UHFFFAOYSA-N
MW505.05 g/mol
LogP5.30
Rot. Bonds7

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

1-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine (PubChem CID 141384288) has the molecular formula C26H25ClN6OS and a molecular weight of 505.05 g/mol. Its IUPAC name is 1-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name1-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine
PubChem CID141384288
Molecular FormulaC26H25ClN6OS
Molecular Weight505.05 g/mol
Exact Mass504.15
IUPAC Name1-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine
SMILESClc1cccc(Cn2cc(CNNc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)c1
InChIInChI=1S/C26H25ClN6OS/c27-20-5-3-4-18(14-20)16-33-17-19(21-6-1-2-7-23(21)33)15-28-31-26-29-22-8-13-35-24(22)25(30-26)32-9-11-34-12-10-32/h1-8,13-14,17,28H,9-12,15-16H2,(H,29,30,31)
InChIKeyIKBUQIPBWBECGK-UHFFFAOYSA-N
XLogP5.30
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.05
LogP ≤ 55.30
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-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine?
The IUPAC name of 1-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine (CID 141384288) is 1-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine.
What is the SMILES notation for 1-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine?
The canonical SMILES for 1-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine is Clc1cccc(Cn2cc(CNNc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)c1.
What is the InChIKey of 1-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine?
The InChIKey is IKBUQIPBWBECGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6OS/c27-20-5-3-4-18(14-20)16-33-17-19(21-6-1-2-7-23(21)33)15-28-31-26-29-22-8-13-35-24(22)25(30-26)32-9-11-34-12-10-32/h1-8,13-14,17,28H,9-12,15-16H2,(H,29,30,31).
What are the key properties of 1-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine?
1-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine has a molecular weight of 505.05 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-2-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine is sourced from PubChem (CID 141384288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).