1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one

C27H28F2N4O — CID 71569052

IUPAC1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(-c2cc(F)c(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1
InChIInChI=1S/C27H28F2N4O/c1-31-15-19(14-30-31)21-13-23(28)18(12-24(21)29)16-33-25-9-5-4-8-22(25)27(26(33)34)10-11-32(17-27)20-6-2-3-7-20/h4-5,8-9,12-15,20H,2-3,6-7,10-11,16-17H2,1H3
InChIKeyAEHKMNQRAODAJY-UHFFFAOYSA-N
MW462.54 g/mol
LogP4.80
Rot. Bonds4

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

1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 71569052) has the molecular formula C27H28F2N4O and a molecular weight of 462.54 g/mol. Its IUPAC name is 1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID71569052
Molecular FormulaC27H28F2N4O
Molecular Weight462.54 g/mol
Exact Mass462.22
IUPAC Name1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(-c2cc(F)c(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1
InChIInChI=1S/C27H28F2N4O/c1-31-15-19(14-30-31)21-13-23(28)18(12-24(21)29)16-33-25-9-5-4-8-22(25)27(26(33)34)10-11-32(17-27)20-6-2-3-7-20/h4-5,8-9,12-15,20H,2-3,6-7,10-11,16-17H2,1H3
InChIKeyAEHKMNQRAODAJY-UHFFFAOYSA-N
XLogP4.80
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 71569052) is 1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one is Cn1cc(-c2cc(F)c(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1.
What is the InChIKey of 1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is AEHKMNQRAODAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O/c1-31-15-19(14-30-31)21-13-23(28)18(12-24(21)29)16-33-25-9-5-4-8-22(25)27(26(33)34)10-11-32(17-27)20-6-2-3-7-20/h4-5,8-9,12-15,20H,2-3,6-7,10-11,16-17H2,1H3.
What are the key properties of 1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 462.54 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 71569052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).