5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one

C24H22F2N4O3 — CID 168761617

IUPAC5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one
SMILESO=C(c1cccc2ccnn12)N1CCC2(CC1)OC1CCC(c3cc(F)cc(F)c3)N1C2=O
InChIInChI=1S/C24H22F2N4O3/c25-16-12-15(13-17(26)14-16)19-4-5-21-29(19)23(32)24(33-21)7-10-28(11-8-24)22(31)20-3-1-2-18-6-9-27-30(18)20/h1-3,6,9,12-14,19,21H,4-5,7-8,10-11H2
InChIKeyHGGVPSCHEKIPLY-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.31
Rot. Bonds2

About 5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one

5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one (PubChem CID 168761617) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one
PubChem CID168761617
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC Name5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one
SMILESO=C(c1cccc2ccnn12)N1CCC2(CC1)OC1CCC(c3cc(F)cc(F)c3)N1C2=O
InChIInChI=1S/C24H22F2N4O3/c25-16-12-15(13-17(26)14-16)19-4-5-21-29(19)23(32)24(33-21)7-10-28(11-8-24)22(31)20-3-1-2-18-6-9-27-30(18)20/h1-3,6,9,12-14,19,21H,4-5,7-8,10-11H2
InChIKeyHGGVPSCHEKIPLY-UHFFFAOYSA-N
XLogP3.31
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one?
The IUPAC name of 5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one (CID 168761617) is 5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one.
What is the SMILES notation for 5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one?
The canonical SMILES for 5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one is O=C(c1cccc2ccnn12)N1CCC2(CC1)OC1CCC(c3cc(F)cc(F)c3)N1C2=O.
What is the InChIKey of 5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one?
The InChIKey is HGGVPSCHEKIPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c25-16-12-15(13-17(26)14-16)19-4-5-21-29(19)23(32)24(33-21)7-10-28(11-8-24)22(31)20-3-1-2-18-6-9-27-30(18)20/h1-3,6,9,12-14,19,21H,4-5,7-8,10-11H2.
What are the key properties of 5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one?
5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one has a molecular weight of 452.46 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-1'-(pyrazolo[1,5-a]pyridine-7-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one is sourced from PubChem (CID 168761617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).