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

C32H32N4O3 — CID 70661809

IUPAC(2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1cc2c(/C=C/c3ccc(CCN4CCOCC4)cc3)n[nH]c2cc1[C@@H]1C[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C32H32N4O3/c1-38-30-19-24-27(11-10-21-6-8-22(9-7-21)12-13-36-14-16-39-17-15-36)34-35-29(24)18-23(30)26-20-32(26)25-4-2-3-5-28(25)33-31(32)37/h2-11,18-19,26H,12-17,20H2,1H3,(H,33,37)(H,34,35)/b11-10+/t26-,32-/m0/s1
InChIKeyNTMOKILIEDRJNZ-RZRTUYLMSA-N
MW520.63 g/mol
LogP4.99
Rot. Bonds7

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

(2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 70661809) has the molecular formula C32H32N4O3 and a molecular weight of 520.63 g/mol. Its IUPAC name is (2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID70661809
Molecular FormulaC32H32N4O3
Molecular Weight520.63 g/mol
Exact Mass520.25
IUPAC Name(2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1cc2c(/C=C/c3ccc(CCN4CCOCC4)cc3)n[nH]c2cc1[C@@H]1C[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C32H32N4O3/c1-38-30-19-24-27(11-10-21-6-8-22(9-7-21)12-13-36-14-16-39-17-15-36)34-35-29(24)18-23(30)26-20-32(26)25-4-2-3-5-28(25)33-31(32)37/h2-11,18-19,26H,12-17,20H2,1H3,(H,33,37)(H,34,35)/b11-10+/t26-,32-/m0/s1
InChIKeyNTMOKILIEDRJNZ-RZRTUYLMSA-N
XLogP4.99
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]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 (2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 70661809) is (2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is COc1cc2c(/C=C/c3ccc(CCN4CCOCC4)cc3)n[nH]c2cc1[C@@H]1C[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is NTMOKILIEDRJNZ-RZRTUYLMSA-N. The full InChI is InChI=1S/C32H32N4O3/c1-38-30-19-24-27(11-10-21-6-8-22(9-7-21)12-13-36-14-16-39-17-15-36)34-35-29(24)18-23(30)26-20-32(26)25-4-2-3-5-28(25)33-31(32)37/h2-11,18-19,26H,12-17,20H2,1H3,(H,33,37)(H,34,35)/b11-10+/t26-,32-/m0/s1.
What are the key properties of (2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 520.63 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-[5-methoxy-3-[(E)-2-[4-(2-morpholin-4-ylethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 70661809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).