3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C25H21ClFN3O3 — CID 155986459

IUPAC3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C(c1cccc(Cc2ccccc2F)n1)N1CCC2(C1)CN(c1cccc(Cl)c1)C(=O)O2
InChIInChI=1S/C25H21ClFN3O3/c26-18-6-3-8-20(14-18)30-16-25(33-24(30)32)11-12-29(15-25)23(31)22-10-4-7-19(28-22)13-17-5-1-2-9-21(17)27/h1-10,14H,11-13,15-16H2
InChIKeyRJVQPCPQLWAROY-UHFFFAOYSA-N
MW465.91 g/mol
LogP4.71
Rot. Bonds4

About 3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 155986459) has the molecular formula C25H21ClFN3O3 and a molecular weight of 465.91 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID155986459
Molecular FormulaC25H21ClFN3O3
Molecular Weight465.91 g/mol
Exact Mass465.13
IUPAC Name3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C(c1cccc(Cc2ccccc2F)n1)N1CCC2(C1)CN(c1cccc(Cl)c1)C(=O)O2
InChIInChI=1S/C25H21ClFN3O3/c26-18-6-3-8-20(14-18)30-16-25(33-24(30)32)11-12-29(15-25)23(31)22-10-4-7-19(28-22)13-17-5-1-2-9-21(17)27/h1-10,14H,11-13,15-16H2
InChIKeyRJVQPCPQLWAROY-UHFFFAOYSA-N
XLogP4.71
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.91
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129459763
(5S)-7-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125018428
(5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125025104
8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11992888
3-(3-fluorophenyl)-9-[2-(pyrazol-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 132772757
(5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125016171
benzyl 3-(4-chloro-2-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 56763739
(5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125021100
(5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125022527
3-(3-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 155986489
(5R)-3-(4-chlorophenyl)-9-[2-(imidazol-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 129457548
3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901933

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 155986459) is 3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is O=C(c1cccc(Cc2ccccc2F)n1)N1CCC2(C1)CN(c1cccc(Cl)c1)C(=O)O2.
What is the InChIKey of 3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is RJVQPCPQLWAROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O3/c26-18-6-3-8-20(14-18)30-16-25(33-24(30)32)11-12-29(15-25)23(31)22-10-4-7-19(28-22)13-17-5-1-2-9-21(17)27/h1-10,14H,11-13,15-16H2.
What are the key properties of 3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 465.91 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 155986459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).