1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one

C27H29FN4O — CID 71568899

IUPAC1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1
InChIInChI=1S/C27H29FN4O/c1-30-17-20(15-29-30)22-11-10-19(14-24(22)28)16-32-25-9-5-4-8-23(25)27(26(32)33)12-13-31(18-27)21-6-2-3-7-21/h4-5,8-11,14-15,17,21H,2-3,6-7,12-13,16,18H2,1H3
InChIKeyHQUNIBFTDXELEW-UHFFFAOYSA-N
MW444.55 g/mol
LogP4.66
Rot. Bonds4

About 1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one

1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 71568899) has the molecular formula C27H29FN4O and a molecular weight of 444.55 g/mol. Its IUPAC name is 1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID71568899
Molecular FormulaC27H29FN4O
Molecular Weight444.55 g/mol
Exact Mass444.23
IUPAC Name1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1
InChIInChI=1S/C27H29FN4O/c1-30-17-20(15-29-30)22-11-10-19(14-24(22)28)16-32-25-9-5-4-8-23(25)27(26(32)33)12-13-31(18-27)21-6-2-3-7-21/h4-5,8-11,14-15,17,21H,2-3,6-7,12-13,16,18H2,1H3
InChIKeyHQUNIBFTDXELEW-UHFFFAOYSA-N
XLogP4.66
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 71568899) is 1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one is Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1.
What is the InChIKey of 1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HQUNIBFTDXELEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O/c1-30-17-20(15-29-30)22-11-10-19(14-24(22)28)16-32-25-9-5-4-8-23(25)27(26(32)33)12-13-31(18-27)21-6-2-3-7-21/h4-5,8-11,14-15,17,21H,2-3,6-7,12-13,16,18H2,1H3.
What are the key properties of 1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 444.55 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopentyl-1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 71568899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).