1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one

C32H28FN3O2 — CID 166916492

IUPAC1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1(Cc2ccccc2)CC(O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C32H28FN3O2/c1-22-16-29-25(20-34-36(29)27-14-12-26(33)13-15-27)17-28(22)32(18-23-8-4-2-5-9-23)19-30(37)35(31(32)38)21-24-10-6-3-7-11-24/h2-17,20,30,37H,18-19,21H2,1H3
InChIKeyPDESBLBZCDCDGV-UHFFFAOYSA-N
MW505.59 g/mol
LogP5.70
Rot. Bonds6

About 1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one

1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one (PubChem CID 166916492) has the molecular formula C32H28FN3O2 and a molecular weight of 505.59 g/mol. Its IUPAC name is 1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one
PubChem CID166916492
Molecular FormulaC32H28FN3O2
Molecular Weight505.59 g/mol
Exact Mass505.22
IUPAC Name1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1(Cc2ccccc2)CC(O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C32H28FN3O2/c1-22-16-29-25(20-34-36(29)27-14-12-26(33)13-15-27)17-28(22)32(18-23-8-4-2-5-9-23)19-30(37)35(31(32)38)21-24-10-6-3-7-11-24/h2-17,20,30,37H,18-19,21H2,1H3
InChIKeyPDESBLBZCDCDGV-UHFFFAOYSA-N
XLogP5.70
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.59
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one with MolForge

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Related Compounds

trans-N-(3-(1-Cyclopropyl-1H-pyrazol-4-yl)phenyl)-N-((trans-4-(3-fluoro-1-methyl-1H-indazol-5-yl)cyclohexyl)methyl)-4-hydroxycyclohexanecarboxamide
CID 135329954
US11787780, Example 339
CID 166916494
US11787780, Example 191
CID 166917305
US11787780, Example 190
CID 166917310
US11787780, Example 194
CID 166917312
US11787780, Example 192
CID 166917347
US11787780, Example 193
CID 166917348
US11787780, Example 326
CID 166916298
US20250115583, Example 128
CID 168960759
US20250115583, Example 113
CID 168960805
US20250115583, Example 182
CID 168960807
US20250115583, Example 183
CID 168960827

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one?
The IUPAC name of 1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one (CID 166916492) is 1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one?
The canonical SMILES for 1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1(Cc2ccccc2)CC(O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one?
The InChIKey is PDESBLBZCDCDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN3O2/c1-22-16-29-25(20-34-36(29)27-14-12-26(33)13-15-27)17-28(22)32(18-23-8-4-2-5-9-23)19-30(37)35(31(32)38)21-24-10-6-3-7-11-24/h2-17,20,30,37H,18-19,21H2,1H3.
What are the key properties of 1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one?
1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one has a molecular weight of 505.59 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-5-hydroxypyrrolidin-2-one is sourced from PubChem (CID 166916492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).