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

C26H27FN2O3 — CID 66662379

IUPAC(1R)-1'-[1-[4-[cyclopentyl(fluoro)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1O[C@]2(CCN(C(=O)C3(c4ccc(C(F)C5CCCC5)cc4)CC3)C2)c2ccncc21
InChIInChI=1S/C26H27FN2O3/c27-22(17-3-1-2-4-17)18-5-7-19(8-6-18)25(10-11-25)24(31)29-14-12-26(16-29)21-9-13-28-15-20(21)23(30)32-26/h5-9,13,15,17,22H,1-4,10-12,14,16H2/t22?,26-/m0/s1
InChIKeyPJXURGGOHBIOLB-XGCAABAXSA-N
MW434.51 g/mol
LogP4.61
Rot. Bonds4

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

(1R)-1'-[1-[4-[cyclopentyl(fluoro)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66662379) has the molecular formula C26H27FN2O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is (1R)-1'-[1-[4-[cyclopentyl(fluoro)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name(1R)-1'-[1-[4-[cyclopentyl(fluoro)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66662379
Molecular FormulaC26H27FN2O3
Molecular Weight434.51 g/mol
Exact Mass434.20
IUPAC Name(1R)-1'-[1-[4-[cyclopentyl(fluoro)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1O[C@]2(CCN(C(=O)C3(c4ccc(C(F)C5CCCC5)cc4)CC3)C2)c2ccncc21
InChIInChI=1S/C26H27FN2O3/c27-22(17-3-1-2-4-17)18-5-7-19(8-6-18)25(10-11-25)24(31)29-14-12-26(16-29)21-9-13-28-15-20(21)23(30)32-26/h5-9,13,15,17,22H,1-4,10-12,14,16H2/t22?,26-/m0/s1
InChIKeyPJXURGGOHBIOLB-XGCAABAXSA-N
XLogP4.61
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 168292960
(1R)-1'-{[1-(4-pyridin-4-ylphenyl)cyclopropyl]carbonyl}-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-one
CID 66661645
N-methyl-4-[5-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]-2-pyridinyl]benzamide
CID 66661933
(3R)-1'-(1-pyridin-2-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66661983
N-methyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide
CID 66661993
(3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662056
N,N-dimethyl-4-[5-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]-2-pyridinyl]benzamide
CID 66662163
N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide
CID 66662265
(1R)-1'-{[1-(6-Phenylpyridin-3-yl)cyclopropyl]carbonyl}-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-one
CID 66662296
(3R)-1'-(1-pyridin-3-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662503
N,N-dimethyl-5-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-2-carboxamide
CID 66662666
(3R)-1'-[1-(4-pyridin-2-ylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 168281132

Frequently Asked Questions

What is the IUPAC name of (1R)-1'-[1-[4-[cyclopentyl(fluoro)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of (1R)-1'-[1-[4-[cyclopentyl(fluoro)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66662379) is (1R)-1'-[1-[4-[cyclopentyl(fluoro)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for (1R)-1'-[1-[4-[cyclopentyl(fluoro)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for (1R)-1'-[1-[4-[cyclopentyl(fluoro)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1O[C@]2(CCN(C(=O)C3(c4ccc(C(F)C5CCCC5)cc4)CC3)C2)c2ccncc21.
What is the InChIKey of (1R)-1'-[1-[4-[cyclopentyl(fluoro)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is PJXURGGOHBIOLB-XGCAABAXSA-N. The full InChI is InChI=1S/C26H27FN2O3/c27-22(17-3-1-2-4-17)18-5-7-19(8-6-18)25(10-11-25)24(31)29-14-12-26(16-29)21-9-13-28-15-20(21)23(30)32-26/h5-9,13,15,17,22H,1-4,10-12,14,16H2/t22?,26-/m0/s1.
What are the key properties of (1R)-1'-[1-[4-[cyclopentyl(fluoro)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
(1R)-1'-[1-[4-[cyclopentyl(fluoro)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 434.51 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1'-[1-[4-[cyclopentyl(fluoro)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66662379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).