1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C50H44FN7O6 — CID 68859601

IUPAC1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(-n5cccn5)cc4F)CC3)C2)c2ccncc21.O=C1OC2(CCN(C(=O)C3(c4ccc(CCc5ccccn5)cc4)CC3)C2)c2ccncc21
InChIInChI=1S/C27H25N3O3.C23H19FN4O3/c31-24-22-17-28-15-10-23(22)27(33-24)13-16-30(18-27)25(32)26(11-12-26)20-7-4-19(5-8-20)6-9-21-3-1-2-14-29-21;24-19-12-15(28-10-1-8-26-28)2-3-18(19)22(5-6-22)21(30)27-11-7-23(14-27)17-4-9-25-13-16(17)20(29)31-23/h1-5,7-8,10,14-15,17H,6,9,11-13,16,18H2;1-4,8-10,12-13H,5-7,11,14H2
InChIKeyKSFSTYJSGWLPNA-UHFFFAOYSA-N
MW857.94 g/mol
LogP6.33
Rot. Bonds8

About 1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 68859601) has the molecular formula C50H44FN7O6 and a molecular weight of 857.94 g/mol. Its IUPAC name is 1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID68859601
Molecular FormulaC50H44FN7O6
Molecular Weight857.94 g/mol
Exact Mass857.33
IUPAC Name1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(-n5cccn5)cc4F)CC3)C2)c2ccncc21.O=C1OC2(CCN(C(=O)C3(c4ccc(CCc5ccccn5)cc4)CC3)C2)c2ccncc21
InChIInChI=1S/C27H25N3O3.C23H19FN4O3/c31-24-22-17-28-15-10-23(22)27(33-24)13-16-30(18-27)25(32)26(11-12-26)20-7-4-19(5-8-20)6-9-21-3-1-2-14-29-21;24-19-12-15(28-10-1-8-26-28)2-3-18(19)22(5-6-22)21(30)27-11-7-23(14-27)17-4-9-25-13-16(17)20(29)31-23/h1-5,7-8,10,14-15,17H,6,9,11-13,16,18H2;1-4,8-10,12-13H,5-7,11,14H2
InChIKeyKSFSTYJSGWLPNA-UHFFFAOYSA-N
XLogP6.33
TPSA149.71 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500857.94
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 68859601) is 1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1OC2(CCN(C(=O)C3(c4ccc(-n5cccn5)cc4F)CC3)C2)c2ccncc21.O=C1OC2(CCN(C(=O)C3(c4ccc(CCc5ccccn5)cc4)CC3)C2)c2ccncc21.
What is the InChIKey of 1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is KSFSTYJSGWLPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3.C23H19FN4O3/c31-24-22-17-28-15-10-23(22)27(33-24)13-16-30(18-27)25(32)26(11-12-26)20-7-4-19(5-8-20)6-9-21-3-1-2-14-29-21;24-19-12-15(28-10-1-8-26-28)2-3-18(19)22(5-6-22)21(30)27-11-7-23(14-27)17-4-9-25-13-16(17)20(29)31-23/h1-5,7-8,10,14-15,17H,6,9,11-13,16,18H2;1-4,8-10,12-13H,5-7,11,14H2.
What are the key properties of 1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 857.94 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(2-fluoro-4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;1'-[1-[4-(2-pyridin-2-ylethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 68859601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).