1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole

C25H23N3O2 — CID 166128782

IUPAC1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole
SMILESCOc1ccc2c(c1)C1(CC1)C(=O)N2Cc1ccccc1.c1ccc2[nH]ncc2c1
InChIInChI=1S/C18H17NO2.C7H6N2/c1-21-14-7-8-16-15(11-14)18(9-10-18)17(20)19(16)12-13-5-3-2-4-6-13;1-2-4-7-6(3-1)5-8-9-7/h2-8,11H,9-10,12H2,1H3;1-5H,(H,8,9)
InChIKeyZQQZEDQNPHFHTG-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.84
Rot. Bonds3

About 1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole

1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole (PubChem CID 166128782) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole.

Molecular Properties

Compound Name1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole
PubChem CID166128782
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole
SMILESCOc1ccc2c(c1)C1(CC1)C(=O)N2Cc1ccccc1.c1ccc2[nH]ncc2c1
InChIInChI=1S/C18H17NO2.C7H6N2/c1-21-14-7-8-16-15(11-14)18(9-10-18)17(20)19(16)12-13-5-3-2-4-6-13;1-2-4-7-6(3-1)5-8-9-7/h2-8,11H,9-10,12H2,1H3;1-5H,(H,8,9)
InChIKeyZQQZEDQNPHFHTG-UHFFFAOYSA-N
XLogP4.84
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1-[(4-methoxyphenyl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 15982400
1-benzyl-6-methoxy-3,3-dimethylindol-2-one
CID 1201570
3-acetyl-1,3-dibenzyl-5-methoxyindol-2-one
CID 11014506
1'-benzyl-5'-methoxy-6-phenylspiro[11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-triene-8,3'-indole]-2',10-dione
CID 136961457
2-[(3S)-1-benzyl-5-methoxy-3-(3-methylbut-2-enyl)-2-oxoindol-3-yl]acetic acid
CID 10643437
1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate
CID 157125189
(3R)-1-benzyl-3-hydroxy-5-methoxy-3-[(2R)-2-phenylbut-3-enyl]indol-2-one
CID 134952514
tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate
CID 68543344
1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46014824
butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 144930300
(3S)-1-benzyl-5-chloro-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 40874933
(2R)-1'-benzyl-3-(3-chlorobenzoyl)-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181720

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole?
The IUPAC name of 1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole (CID 166128782) is 1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole.
What is the SMILES notation for 1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole?
The canonical SMILES for 1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole is COc1ccc2c(c1)C1(CC1)C(=O)N2Cc1ccccc1.c1ccc2[nH]ncc2c1.
What is the InChIKey of 1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole?
The InChIKey is ZQQZEDQNPHFHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2.C7H6N2/c1-21-14-7-8-16-15(11-14)18(9-10-18)17(20)19(16)12-13-5-3-2-4-6-13;1-2-4-7-6(3-1)5-8-9-7/h2-8,11H,9-10,12H2,1H3;1-5H,(H,8,9).
What are the key properties of 1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole?
1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole has a molecular weight of 397.48 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole is sourced from PubChem (CID 166128782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).