1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C25H20FN3O3 — CID 66661712

IUPAC1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(-c5ccc(F)cc5)nc4)CC3)C2)c2ccncc21
InChIInChI=1S/C25H20FN3O3/c26-18-4-1-16(2-5-18)21-6-3-17(13-28-21)24(8-9-24)23(31)29-12-10-25(15-29)20-7-11-27-14-19(20)22(30)32-25/h1-7,11,13-14H,8-10,12,15H2
InChIKeyPZJFZDRHHCZORN-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.61
Rot. Bonds3

About 1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66661712) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is 1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66661712
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC Name1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(-c5ccc(F)cc5)nc4)CC3)C2)c2ccncc21
InChIInChI=1S/C25H20FN3O3/c26-18-4-1-16(2-5-18)21-6-3-17(13-28-21)24(8-9-24)23(31)29-12-10-25(15-29)20-7-11-27-14-19(20)22(30)32-25/h1-7,11,13-14H,8-10,12,15H2
InChIKeyPZJFZDRHHCZORN-UHFFFAOYSA-N
XLogP3.61
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66661712) is 1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1OC2(CCN(C(=O)C3(c4ccc(-c5ccc(F)cc5)nc4)CC3)C2)c2ccncc21.
What is the InChIKey of 1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is PZJFZDRHHCZORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c26-18-4-1-16(2-5-18)21-6-3-17(13-28-21)24(8-9-24)23(31)29-12-10-25(15-29)20-7-11-27-14-19(20)22(30)32-25/h1-7,11,13-14H,8-10,12,15H2.
What are the key properties of 1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 429.45 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66661712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).