2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one

C20H19N3O2 — CID 123758890

IUPAC2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCCc1[nH]nc2cc(C3CC34C(=O)Nc3ccc(OC)cc34)ccc12
InChIInChI=1S/C20H19N3O2/c1-3-16-13-6-4-11(8-18(13)23-22-16)15-10-20(15)14-9-12(25-2)5-7-17(14)21-19(20)24/h4-9,15H,3,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyRVJFLWMUHLIUAQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.51
Rot. Bonds3

About 2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one

2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 123758890) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID123758890
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCCc1[nH]nc2cc(C3CC34C(=O)Nc3ccc(OC)cc34)ccc12
InChIInChI=1S/C20H19N3O2/c1-3-16-13-6-4-11(8-18(13)23-22-16)15-10-20(15)14-9-12(25-2)5-7-17(14)21-19(20)24/h4-9,15H,3,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyRVJFLWMUHLIUAQ-UHFFFAOYSA-N
XLogP3.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 90981098
(2'S,3R)-2'-(3-iodo-2H-indazol-6-yl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486369
(2'S,3R)-5-chloro-2'-(3-iodo-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 68790188
2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 123749735
2-(3-ethyl-2H-indazol-6-yl)-1'-(2-methoxyethyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 123833382
(3R)-5-methoxy-2'-[3-(4-piperidin-1-ylphenyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 152996942
(2'S,3R)-2'-[3-[(2-ethoxy-6-methylsulfonyl-3-pyridinyl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 166129177
(3R)-2'-[3-[2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 123675562
5-methoxy-2'-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 90956758
5-methoxy-2'-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethynyl]-2H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one;bis(2,2,2-trifluoroacetic acid)
CID 88531289
(2'S,3R)-5-methoxy-2'-[3-[4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 56959834
1'-(2-ethoxyethyl)-2-(3-ethyl-2H-indazol-6-yl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 123454906

Frequently Asked Questions

What is the IUPAC name of 2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 123758890) is 2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one is CCc1[nH]nc2cc(C3CC34C(=O)Nc3ccc(OC)cc34)ccc12.
What is the InChIKey of 2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is RVJFLWMUHLIUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-3-16-13-6-4-11(8-18(13)23-22-16)15-10-20(15)14-9-12(25-2)5-7-17(14)21-19(20)24/h4-9,15H,3,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 333.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(3-ethyl-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 123758890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).