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

C19H17N3O — CID 90981098

IUPAC2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCCc1[nH]nc2cc(C3CC34C(=O)Nc3ccccc34)ccc12
InChIInChI=1S/C19H17N3O/c1-2-15-12-8-7-11(9-17(12)22-21-15)14-10-19(14)13-5-3-4-6-16(13)20-18(19)23/h3-9,14H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyOKDAQBCEUPXZDB-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.50
Rot. Bonds2

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

2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 90981098) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID90981098
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCCc1[nH]nc2cc(C3CC34C(=O)Nc3ccccc34)ccc12
InChIInChI=1S/C19H17N3O/c1-2-15-12-8-7-11(9-17(12)22-21-15)14-10-19(14)13-5-3-4-6-16(13)20-18(19)23/h3-9,14H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyOKDAQBCEUPXZDB-UHFFFAOYSA-N
XLogP3.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 90981098) is 2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is CCc1[nH]nc2cc(C3CC34C(=O)Nc3ccccc34)ccc12.
What is the InChIKey of 2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is OKDAQBCEUPXZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-2-15-12-8-7-11(9-17(12)22-21-15)14-10-19(14)13-5-3-4-6-16(13)20-18(19)23/h3-9,14H,2,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 303.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(3-ethyl-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 90981098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).