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

C18H15N3O2 — CID 66734415

IUPAC(2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3cn[nH]c3c1)C(=O)N2
InChIInChI=1S/C18H15N3O2/c1-23-12-4-5-15-13(7-12)18(17(22)20-15)8-14(18)10-2-3-11-9-19-21-16(11)6-10/h2-7,9,14H,8H2,1H3,(H,19,21)(H,20,22)/t14-,18-/m0/s1
InChIKeyXFMJTQHONHTSHU-KSSFIOAISA-N
MW305.34 g/mol
LogP2.95
Rot. Bonds2

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

(2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 66734415) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is (2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID66734415
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name(2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3cn[nH]c3c1)C(=O)N2
InChIInChI=1S/C18H15N3O2/c1-23-12-4-5-15-13(7-12)18(17(22)20-15)8-14(18)10-2-3-11-9-19-21-16(11)6-10/h2-7,9,14H,8H2,1H3,(H,19,21)(H,20,22)/t14-,18-/m0/s1
InChIKeyXFMJTQHONHTSHU-KSSFIOAISA-N
XLogP2.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one with MolForge

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Related Compounds

CID 58486178
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CID 58486384
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CID 56959991
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CID 56962121
CID 56962121
CID 58486157
CID 58486157
CID 58486186
CID 58486186
CID 58486224
CID 58486224
CID 58486268
CID 58486268
CID 58486278
CID 58486278
CID 67446346
CID 67446346
CID 67448476
CID 67448476
CID 3348038
CID 3348038

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 66734415) is (2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one is COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3cn[nH]c3c1)C(=O)N2.
What is the InChIKey of (2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is XFMJTQHONHTSHU-KSSFIOAISA-N. The full InChI is InChI=1S/C18H15N3O2/c1-23-12-4-5-15-13(7-12)18(17(22)20-15)8-14(18)10-2-3-11-9-19-21-16(11)6-10/h2-7,9,14H,8H2,1H3,(H,19,21)(H,20,22)/t14-,18-/m0/s1.
What are the key properties of (2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 305.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-(1H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 66734415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).