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

C27H30N4O — CID 71718834

IUPAC1'-cyclopentyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2)cn1
InChIInChI=1S/C27H30N4O/c1-29-18-22(16-28-29)21-12-10-20(11-13-21)17-31-25-9-5-4-8-24(25)27(26(31)32)14-15-30(19-27)23-6-2-3-7-23/h4-5,8-13,16,18,23H,2-3,6-7,14-15,17,19H2,1H3
InChIKeyNIOBMHUCDISLEJ-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.52
Rot. Bonds4

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

1'-cyclopentyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 71718834) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 1'-cyclopentyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-cyclopentyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID71718834
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name1'-cyclopentyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2)cn1
InChIInChI=1S/C27H30N4O/c1-29-18-22(16-28-29)21-12-10-20(11-13-21)17-31-25-9-5-4-8-24(25)27(26(31)32)14-15-30(19-27)23-6-2-3-7-23/h4-5,8-13,16,18,23H,2-3,6-7,14-15,17,19H2,1H3
InChIKeyNIOBMHUCDISLEJ-UHFFFAOYSA-N
XLogP4.52
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.52
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-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-cyclopentyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 71718834) is 1'-cyclopentyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-cyclopentyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-cyclopentyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one is Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2)cn1.
What is the InChIKey of 1'-cyclopentyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is NIOBMHUCDISLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-29-18-22(16-28-29)21-12-10-20(11-13-21)17-31-25-9-5-4-8-24(25)27(26(31)32)14-15-30(19-27)23-6-2-3-7-23/h4-5,8-13,16,18,23H,2-3,6-7,14-15,17,19H2,1H3.
What are the key properties of 1'-cyclopentyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1'-cyclopentyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 426.56 g/mol, XLogP of 4.52, 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-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 71718834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).