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

C26H20F3N3O3 — CID 66661708

IUPAC(1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1O[C@]2(CCN(C(=O)C3(c4ccc(-c5cccc(C(F)(F)F)c5)nc4)CC3)C2)c2ccncc21
InChIInChI=1S/C26H20F3N3O3/c27-26(28,29)17-3-1-2-16(12-17)21-5-4-18(13-31-21)24(7-8-24)23(34)32-11-9-25(15-32)20-6-10-30-14-19(20)22(33)35-25/h1-6,10,12-14H,7-9,11,15H2/t25-/m0/s1
InChIKeyYKGOVJOMAWWNGL-VWLOTQADSA-N
MW479.46 g/mol
LogP4.49
Rot. Bonds3

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

(1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66661708) has the molecular formula C26H20F3N3O3 and a molecular weight of 479.46 g/mol. Its IUPAC name is (1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name(1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66661708
Molecular FormulaC26H20F3N3O3
Molecular Weight479.46 g/mol
Exact Mass479.15
IUPAC Name(1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1O[C@]2(CCN(C(=O)C3(c4ccc(-c5cccc(C(F)(F)F)c5)nc4)CC3)C2)c2ccncc21
InChIInChI=1S/C26H20F3N3O3/c27-26(28,29)17-3-1-2-16(12-17)21-5-4-18(13-31-21)24(7-8-24)23(34)32-11-9-25(15-32)20-6-10-30-14-19(20)22(33)35-25/h1-6,10,12-14H,7-9,11,15H2/t25-/m0/s1
InChIKeyYKGOVJOMAWWNGL-VWLOTQADSA-N
XLogP4.49
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of (1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66661708) is (1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for (1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for (1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1O[C@]2(CCN(C(=O)C3(c4ccc(-c5cccc(C(F)(F)F)c5)nc4)CC3)C2)c2ccncc21.
What is the InChIKey of (1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is YKGOVJOMAWWNGL-VWLOTQADSA-N. The full InChI is InChI=1S/C26H20F3N3O3/c27-26(28,29)17-3-1-2-16(12-17)21-5-4-18(13-31-21)24(7-8-24)23(34)32-11-9-25(15-32)20-6-10-30-14-19(20)22(33)35-25/h1-6,10,12-14H,7-9,11,15H2/t25-/m0/s1.
What are the key properties of (1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
(1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 479.46 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66661708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).