(2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C17H13N3O — CID 68633794

IUPAC(2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H13N3O/c21-16-17(12-3-1-2-4-15(12)19-16)8-13(17)10-5-6-14-11(7-10)9-18-20-14/h1-7,9,13H,8H2,(H,18,20)(H,19,21)/t13-,17-/m0/s1
InChIKeyCFFLKULRKTZHDE-GUYCJALGSA-N
MW275.31 g/mol
LogP2.94
Rot. Bonds1

About (2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 68633794) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is (2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID68633794
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name(2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H13N3O/c21-16-17(12-3-1-2-4-15(12)19-16)8-13(17)10-5-6-14-11(7-10)9-18-20-14/h1-7,9,13H,8H2,(H,18,20)(H,19,21)/t13-,17-/m0/s1
InChIKeyCFFLKULRKTZHDE-GUYCJALGSA-N
XLogP2.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 68633794) is (2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2[nH]ncc2c1.
What is the InChIKey of (2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is CFFLKULRKTZHDE-GUYCJALGSA-N. The full InChI is InChI=1S/C17H13N3O/c21-16-17(12-3-1-2-4-15(12)19-16)8-13(17)10-5-6-14-11(7-10)9-18-20-14/h1-7,9,13H,8H2,(H,18,20)(H,19,21)/t13-,17-/m0/s1.
What are the key properties of (2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 275.31 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-(1H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 68633794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).