1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one

C28H31FN4O — CID 71571212

IUPAC1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCc1c(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cnn1C
InChIInChI=1S/C28H31FN4O/c1-19-23(16-30-31(19)2)20-11-12-21(25(29)15-20)17-33-26-10-6-5-9-24(26)28(27(33)34)13-14-32(18-28)22-7-3-4-8-22/h5-6,9-12,15-16,22H,3-4,7-8,13-14,17-18H2,1-2H3
InChIKeyYMUXAUYNLWGRJT-UHFFFAOYSA-N
MW458.58 g/mol
LogP4.97
Rot. Bonds4

About 1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one

1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 71571212) has the molecular formula C28H31FN4O and a molecular weight of 458.58 g/mol. Its IUPAC name is 1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID71571212
Molecular FormulaC28H31FN4O
Molecular Weight458.58 g/mol
Exact Mass458.25
IUPAC Name1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCc1c(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cnn1C
InChIInChI=1S/C28H31FN4O/c1-19-23(16-30-31(19)2)20-11-12-21(25(29)15-20)17-33-26-10-6-5-9-24(26)28(27(33)34)13-14-32(18-28)22-7-3-4-8-22/h5-6,9-12,15-16,22H,3-4,7-8,13-14,17-18H2,1-2H3
InChIKeyYMUXAUYNLWGRJT-UHFFFAOYSA-N
XLogP4.97
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 71571212) is 1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one is Cc1c(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cnn1C.
What is the InChIKey of 1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is YMUXAUYNLWGRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O/c1-19-23(16-30-31(19)2)20-11-12-21(25(29)15-20)17-33-26-10-6-5-9-24(26)28(27(33)34)13-14-32(18-28)22-7-3-4-8-22/h5-6,9-12,15-16,22H,3-4,7-8,13-14,17-18H2,1-2H3.
What are the key properties of 1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 458.58 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 71571212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).