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

C24H23F3N4O — CID 71570921

IUPAC1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C4(CCN(CC(F)F)C4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C24H23F3N4O/c1-29-12-18(11-28-29)16-6-7-17(20(25)10-16)13-31-21-5-3-2-4-19(21)24(23(31)32)8-9-30(15-24)14-22(26)27/h2-7,10-12,22H,8-9,13-15H2,1H3
InChIKeyRZNQWDQABWGYIJ-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.98
Rot. Bonds5

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

1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 71570921) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is 1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID71570921
Molecular FormulaC24H23F3N4O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC Name1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C4(CCN(CC(F)F)C4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C24H23F3N4O/c1-29-12-18(11-28-29)16-6-7-17(20(25)10-16)13-31-21-5-3-2-4-19(21)24(23(31)32)8-9-30(15-24)14-22(26)27/h2-7,10-12,22H,8-9,13-15H2,1H3
InChIKeyRZNQWDQABWGYIJ-UHFFFAOYSA-N
XLogP3.98
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 71570921) is 1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one is Cn1cc(-c2ccc(CN3C(=O)C4(CCN(CC(F)F)C4)c4ccccc43)c(F)c2)cn1.
What is the InChIKey of 1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is RZNQWDQABWGYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O/c1-29-12-18(11-28-29)16-6-7-17(20(25)10-16)13-31-21-5-3-2-4-19(21)24(23(31)32)8-9-30(15-24)14-22(26)27/h2-7,10-12,22H,8-9,13-15H2,1H3.
What are the key properties of 1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 440.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 71570921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).