(3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one

C30H28N4O3 — CID 67978709

IUPAC(3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)[C@]1(CC1c1ccc3c(/C=C/c4ccc(N5CCOCC5)cc4)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C30H28N4O3/c1-36-22-8-11-27-24(17-22)30(29(35)31-27)18-25(30)20-5-9-23-26(32-33-28(23)16-20)10-4-19-2-6-21(7-3-19)34-12-14-37-15-13-34/h2-11,16-17,25H,12-15,18H2,1H3,(H,31,35)(H,32,33)/b10-4+/t25?,30-/m0/s1
InChIKeyUGMSODRRQLUOOB-BGAUFJOBSA-N
MW492.58 g/mol
LogP4.96
Rot. Bonds5

About (3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one

(3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 67978709) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is (3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID67978709
Molecular FormulaC30H28N4O3
Molecular Weight492.58 g/mol
Exact Mass492.22
IUPAC Name(3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)[C@]1(CC1c1ccc3c(/C=C/c4ccc(N5CCOCC5)cc4)n[nH]c3c1)C(=O)N2
InChIInChI=1S/C30H28N4O3/c1-36-22-8-11-27-24(17-22)30(29(35)31-27)18-25(30)20-5-9-23-26(32-33-28(23)16-20)10-4-19-2-6-21(7-3-19)34-12-14-37-15-13-34/h2-11,16-17,25H,12-15,18H2,1H3,(H,31,35)(H,32,33)/b10-4+/t25?,30-/m0/s1
InChIKeyUGMSODRRQLUOOB-BGAUFJOBSA-N
XLogP4.96
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze (3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one 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 (3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 67978709) is (3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is COc1ccc2c(c1)[C@]1(CC1c1ccc3c(/C=C/c4ccc(N5CCOCC5)cc4)n[nH]c3c1)C(=O)N2.
What is the InChIKey of (3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is UGMSODRRQLUOOB-BGAUFJOBSA-N. The full InChI is InChI=1S/C30H28N4O3/c1-36-22-8-11-27-24(17-22)30(29(35)31-27)18-25(30)20-5-9-23-26(32-33-28(23)16-20)10-4-19-2-6-21(7-3-19)34-12-14-37-15-13-34/h2-11,16-17,25H,12-15,18H2,1H3,(H,31,35)(H,32,33)/b10-4+/t25?,30-/m0/s1.
What are the key properties of (3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
(3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 492.58 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methoxy-2'-[3-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 67978709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).