N-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine

C26H23ClN6OS — CID 70687007

IUPACN-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine
SMILESClc1cccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)c1
InChIInChI=1S/C26H23ClN6OS/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/h1-8,13-15,17H,9-12,16H2,(H,29,30,31)/b28-15+
InChIKeyJVDTYHMYONBVAU-RWPZCVJISA-N
MW503.03 g/mol
LogP5.63
Rot. Bonds6

About N-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine

N-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine (PubChem CID 70687007) has the molecular formula C26H23ClN6OS and a molecular weight of 503.03 g/mol. Its IUPAC name is N-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine
PubChem CID70687007
Molecular FormulaC26H23ClN6OS
Molecular Weight503.03 g/mol
Exact Mass502.13
IUPAC NameN-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine
SMILESClc1cccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)c1
InChIInChI=1S/C26H23ClN6OS/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/h1-8,13-15,17H,9-12,16H2,(H,29,30,31)/b28-15+
InChIKeyJVDTYHMYONBVAU-RWPZCVJISA-N
XLogP5.63
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.03
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine (CID 70687007) is N-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine is Clc1cccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)c1.
What is the InChIKey of N-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine?
The InChIKey is JVDTYHMYONBVAU-RWPZCVJISA-N. The full InChI is InChI=1S/C26H23ClN6OS/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/h1-8,13-15,17H,9-12,16H2,(H,29,30,31)/b28-15+.
What are the key properties of N-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine?
N-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine has a molecular weight of 503.03 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 70687007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).