1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H25N3O4 — CID 166613461

IUPAC1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1)C1(CO)CCOCC1
InChIInChI=1S/C23H25N3O4/c27-15-22(8-12-30-13-9-22)21(29)26-11-7-23(19(26)16-4-3-10-24-14-16)17-5-1-2-6-18(17)25-20(23)28/h1-6,10,14,19,27H,7-9,11-13,15H2,(H,25,28)
InChIKeyXMZFAAVUEFPQSI-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.03
Rot. Bonds3

About 1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166613461) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166613461
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1)C1(CO)CCOCC1
InChIInChI=1S/C23H25N3O4/c27-15-22(8-12-30-13-9-22)21(29)26-11-7-23(19(26)16-4-3-10-24-14-16)17-5-1-2-6-18(17)25-20(23)28/h1-6,10,14,19,27H,7-9,11-13,15H2,(H,25,28)
InChIKeyXMZFAAVUEFPQSI-UHFFFAOYSA-N
XLogP2.03
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166613461) is 1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1)C1(CO)CCOCC1.
What is the InChIKey of 1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is XMZFAAVUEFPQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-15-22(8-12-30-13-9-22)21(29)26-11-7-23(19(26)16-4-3-10-24-14-16)17-5-1-2-6-18(17)25-20(23)28/h1-6,10,14,19,27H,7-9,11-13,15H2,(H,25,28).
What are the key properties of 1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 407.47 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166613461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).