2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide

C30H29N5O2 — CID 67447305

IUPAC2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide
SMILESCN(C)Cc1ccc(/C=C/c2n[nH]c3cc(C4CC45C(=O)N(CC(N)=O)c4ccccc45)ccc23)cc1
InChIInChI=1S/C30H29N5O2/c1-34(2)17-20-9-7-19(8-10-20)11-14-25-22-13-12-21(15-26(22)33-32-25)24-16-30(24)23-5-3-4-6-27(23)35(29(30)37)18-28(31)36/h3-15,24H,16-18H2,1-2H3,(H2,31,36)(H,32,33)/b14-11+
InChIKeyJMAJFNCBLPXOQD-SDNWHVSQSA-N
MW491.60 g/mol
LogP4.05
Rot. Bonds7

About 2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide

2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide (PubChem CID 67447305) has the molecular formula C30H29N5O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide.

Molecular Properties

Compound Name2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide
PubChem CID67447305
Molecular FormulaC30H29N5O2
Molecular Weight491.60 g/mol
Exact Mass491.23
IUPAC Name2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide
SMILESCN(C)Cc1ccc(/C=C/c2n[nH]c3cc(C4CC45C(=O)N(CC(N)=O)c4ccccc45)ccc23)cc1
InChIInChI=1S/C30H29N5O2/c1-34(2)17-20-9-7-19(8-10-20)11-14-25-22-13-12-21(15-26(22)33-32-25)24-16-30(24)23-5-3-4-6-27(23)35(29(30)37)18-28(31)36/h3-15,24H,16-18H2,1-2H3,(H2,31,36)(H,32,33)/b14-11+
InChIKeyJMAJFNCBLPXOQD-SDNWHVSQSA-N
XLogP4.05
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(1R,2S)-2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide;2,2,2-trifluoroacetic acid
CID 67447306
(1R,2S)-2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-1'-(2-methoxyethyl)spiro[cyclopropane-1,3'-indole]-2'-one;2,2,2-trifluoroacetic acid
CID 67448520
(1R,2S)-1'-methyl-2-[3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one;hydrochloride
CID 67447343
(3R)-2'-[3-[2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 123675562
2-[2-(3-methyl-2H-indazol-6-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide
CID 91449110
2'-[3-[(E)-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 123730461
(2'S,3R)-2'-[3-[2-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 67448620
2'-[3-[(E)-2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 90944697
(3S)-3-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]ethyl]-3-methyl-1H-indol-2-one
CID 118204912
(2'S,3R)-2'-[3-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486240
4-[(E)-2-[6-[(1'S,3R)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-1H-indazol-3-yl]ethenyl]benzonitrile
CID 67445795
(2'S)-2'-[3-[(E)-2-(4-piperazin-1-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 139331886

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide?
The IUPAC name of 2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide (CID 67447305) is 2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide.
What is the SMILES notation for 2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide?
The canonical SMILES for 2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide is CN(C)Cc1ccc(/C=C/c2n[nH]c3cc(C4CC45C(=O)N(CC(N)=O)c4ccccc45)ccc23)cc1.
What is the InChIKey of 2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide?
The InChIKey is JMAJFNCBLPXOQD-SDNWHVSQSA-N. The full InChI is InChI=1S/C30H29N5O2/c1-34(2)17-20-9-7-19(8-10-20)11-14-25-22-13-12-21(15-26(22)33-32-25)24-16-30(24)23-5-3-4-6-27(23)35(29(30)37)18-28(31)36/h3-15,24H,16-18H2,1-2H3,(H2,31,36)(H,32,33)/b14-11+.
What are the key properties of 2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide?
2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide has a molecular weight of 491.60 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetamide is sourced from PubChem (CID 67447305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).