4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine

C23H22N6O — CID 175224651

IUPAC4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2ccc3c(/C=C/c4ccc(C5CNCCO5)cc4)n[nH]c3c2)n1
InChIInChI=1S/C23H22N6O/c24-23-26-10-9-19(27-23)17-6-7-18-20(28-29-21(18)13-17)8-3-15-1-4-16(5-2-15)22-14-25-11-12-30-22/h1-10,13,22,25H,11-12,14H2,(H,28,29)(H2,24,26,27)/b8-3+
InChIKeyWGLSBWDBWNPNCC-FPYGCLRLSA-N
MW398.47 g/mol
LogP3.43
Rot. Bonds4

About 4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine

4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine (PubChem CID 175224651) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine
PubChem CID175224651
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2ccc3c(/C=C/c4ccc(C5CNCCO5)cc4)n[nH]c3c2)n1
InChIInChI=1S/C23H22N6O/c24-23-26-10-9-19(27-23)17-6-7-18-20(28-29-21(18)13-17)8-3-15-1-4-16(5-2-15)22-14-25-11-12-30-22/h1-10,13,22,25H,11-12,14H2,(H,28,29)(H2,24,26,27)/b8-3+
InChIKeyWGLSBWDBWNPNCC-FPYGCLRLSA-N
XLogP3.43
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]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 4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine (CID 175224651) is 4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine is Nc1nccc(-c2ccc3c(/C=C/c4ccc(C5CNCCO5)cc4)n[nH]c3c2)n1.
What is the InChIKey of 4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine?
The InChIKey is WGLSBWDBWNPNCC-FPYGCLRLSA-N. The full InChI is InChI=1S/C23H22N6O/c24-23-26-10-9-19(27-23)17-6-7-18-20(28-29-21(18)13-17)8-3-15-1-4-16(5-2-15)22-14-25-11-12-30-22/h1-10,13,22,25H,11-12,14H2,(H,28,29)(H2,24,26,27)/b8-3+.
What are the key properties of 4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine?
4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine has a molecular weight of 398.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-2-(4-morpholin-2-ylphenyl)ethenyl]-1H-indazol-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 175224651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).