1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one

C22H20N4O — CID 134564482

IUPAC1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one
SMILESO=C1N(c2ccc3c(c2)CCc2[nH]ncc2-3)CCC12Cc1ccccc1N2
InChIInChI=1S/C22H20N4O/c27-21-22(12-15-3-1-2-4-19(15)24-22)9-10-26(21)16-6-7-17-14(11-16)5-8-20-18(17)13-23-25-20/h1-4,6-7,11,13,24H,5,8-10,12H2,(H,23,25)
InChIKeyKXLZFLROANWIKV-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.32
Rot. Bonds1

About 1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one

1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one (PubChem CID 134564482) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one
PubChem CID134564482
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one
SMILESO=C1N(c2ccc3c(c2)CCc2[nH]ncc2-3)CCC12Cc1ccccc1N2
InChIInChI=1S/C22H20N4O/c27-21-22(12-15-3-1-2-4-19(15)24-22)9-10-26(21)16-6-7-17-14(11-16)5-8-20-18(17)13-23-25-20/h1-4,6-7,11,13,24H,5,8-10,12H2,(H,23,25)
InChIKeyKXLZFLROANWIKV-UHFFFAOYSA-N
XLogP3.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
The IUPAC name of 1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one (CID 134564482) is 1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one.
What is the SMILES notation for 1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
The canonical SMILES for 1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one is O=C1N(c2ccc3c(c2)CCc2[nH]ncc2-3)CCC12Cc1ccccc1N2.
What is the InChIKey of 1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
The InChIKey is KXLZFLROANWIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-21-22(12-15-3-1-2-4-19(15)24-22)9-10-26(21)16-6-7-17-14(11-16)5-8-20-18(17)13-23-25-20/h1-4,6-7,11,13,24H,5,8-10,12H2,(H,23,25).
What are the key properties of 1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one has a molecular weight of 356.43 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4,5-dihydro-3H-benzo[e]indazol-7-yl)spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 134564482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).