(1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C24H22FN3O4 — CID 66661713

IUPAC(1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1O[C@]2(CCN(C(=O)C3(c4ccc(N5CCCC5=O)cc4F)CC3)C2)c2ccncc21
InChIInChI=1S/C24H22FN3O4/c25-19-12-15(28-10-1-2-20(28)29)3-4-18(19)23(6-7-23)22(31)27-11-8-24(14-27)17-5-9-26-13-16(17)21(30)32-24/h3-5,9,12-13H,1-2,6-8,10-11,14H2/t24-/m0/s1
InChIKeyZTXUPPUBPNRIPH-DEOSSOPVSA-N
MW435.46 g/mol
LogP2.68
Rot. Bonds3

About (1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

(1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66661713) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is (1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name(1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66661713
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC Name(1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1O[C@]2(CCN(C(=O)C3(c4ccc(N5CCCC5=O)cc4F)CC3)C2)c2ccncc21
InChIInChI=1S/C24H22FN3O4/c25-19-12-15(28-10-1-2-20(28)29)3-4-18(19)23(6-7-23)22(31)27-11-8-24(14-27)17-5-9-26-13-16(17)21(30)32-24/h3-5,9,12-13H,1-2,6-8,10-11,14H2/t24-/m0/s1
InChIKeyZTXUPPUBPNRIPH-DEOSSOPVSA-N
XLogP2.68
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of (1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66661713) is (1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for (1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for (1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1O[C@]2(CCN(C(=O)C3(c4ccc(N5CCCC5=O)cc4F)CC3)C2)c2ccncc21.
What is the InChIKey of (1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is ZTXUPPUBPNRIPH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22FN3O4/c25-19-12-15(28-10-1-2-20(28)29)3-4-18(19)23(6-7-23)22(31)27-11-8-24(14-27)17-5-9-26-13-16(17)21(30)32-24/h3-5,9,12-13H,1-2,6-8,10-11,14H2/t24-/m0/s1.
What are the key properties of (1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
(1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 435.46 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66661713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).