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

C20H19N3O — CID 123749735

IUPAC2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCCc1[nH]nc2cc(C3CC34C(=O)N(C)c3ccccc34)ccc12
InChIInChI=1S/C20H19N3O/c1-3-16-13-9-8-12(10-17(13)22-21-16)15-11-20(15)14-6-4-5-7-18(14)23(2)19(20)24/h4-10,15H,3,11H2,1-2H3,(H,21,22)
InChIKeyQMLBVLPAKAIOSJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.53
Rot. Bonds2

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

2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 123749735) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID123749735
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCCc1[nH]nc2cc(C3CC34C(=O)N(C)c3ccccc34)ccc12
InChIInChI=1S/C20H19N3O/c1-3-16-13-9-8-12(10-17(13)22-21-16)15-11-20(15)14-6-4-5-7-18(14)23(2)19(20)24/h4-10,15H,3,11H2,1-2H3,(H,21,22)
InChIKeyQMLBVLPAKAIOSJ-UHFFFAOYSA-N
XLogP3.53
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one (CID 123749735) is 2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one is CCc1[nH]nc2cc(C3CC34C(=O)N(C)c3ccccc34)ccc12.
What is the InChIKey of 2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is QMLBVLPAKAIOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-3-16-13-9-8-12(10-17(13)22-21-16)15-11-20(15)14-6-4-5-7-18(14)23(2)19(20)24/h4-10,15H,3,11H2,1-2H3,(H,21,22).
What are the key properties of 2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 317.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 123749735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).