5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one

C32H30N4O2 — CID 166916298

IUPAC5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one
SMILESCc1cc2c(cnn2-c2ccc(=O)n(C)c2)cc1C1(Cc2ccccc2)CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C32H30N4O2/c1-23-17-29-26(20-33-36(29)27-13-14-30(37)34(2)21-27)18-28(23)32(19-24-9-5-3-6-10-24)15-16-35(22-32)31(38)25-11-7-4-8-12-25/h3-14,17-18,20-21H,15-16,19,22H2,1-2H3
InChIKeyFUEQMRZFJDGNNG-UHFFFAOYSA-N
MW502.62 g/mol
LogP5.06
Rot. Bonds5

About 5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one

5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one (PubChem CID 166916298) has the molecular formula C32H30N4O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is 5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one
PubChem CID166916298
Molecular FormulaC32H30N4O2
Molecular Weight502.62 g/mol
Exact Mass502.24
IUPAC Name5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one
SMILESCc1cc2c(cnn2-c2ccc(=O)n(C)c2)cc1C1(Cc2ccccc2)CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C32H30N4O2/c1-23-17-29-26(20-33-36(29)27-13-14-30(37)34(2)21-27)18-28(23)32(19-24-9-5-3-6-10-24)15-16-35(22-32)31(38)25-11-7-4-8-12-25/h3-14,17-18,20-21H,15-16,19,22H2,1-2H3
InChIKeyFUEQMRZFJDGNNG-UHFFFAOYSA-N
XLogP5.06
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one (CID 166916298) is 5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one is Cc1cc2c(cnn2-c2ccc(=O)n(C)c2)cc1C1(Cc2ccccc2)CCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one?
The InChIKey is FUEQMRZFJDGNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O2/c1-23-17-29-26(20-33-36(29)27-13-14-30(37)34(2)21-27)18-28(23)32(19-24-9-5-3-6-10-24)15-16-35(22-32)31(38)25-11-7-4-8-12-25/h3-14,17-18,20-21H,15-16,19,22H2,1-2H3.
What are the key properties of 5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one?
5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one has a molecular weight of 502.62 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-benzoyl-3-benzylpyrrolidin-3-yl)-6-methylindazol-1-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 166916298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).