8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one

C24H19F2N3O2 — CID 154667121

IUPAC8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1ccc2c(-c3ccn4c(=O)ccnc4c3)cccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C24H19F2N3O2/c25-24(26)8-12-28(13-9-24)23(31)18-4-5-20-16(14-18)2-1-3-19(20)17-7-11-29-21(15-17)27-10-6-22(29)30/h1-7,10-11,14-15H,8-9,12-13H2
InChIKeyHTEYHERQVRINRQ-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.39
Rot. Bonds2

About 8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one

8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 154667121) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is 8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID154667121
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1ccc2c(-c3ccn4c(=O)ccnc4c3)cccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C24H19F2N3O2/c25-24(26)8-12-28(13-9-24)23(31)18-4-5-20-16(14-18)2-1-3-19(20)17-7-11-29-21(15-17)27-10-6-22(29)30/h1-7,10-11,14-15H,8-9,12-13H2
InChIKeyHTEYHERQVRINRQ-UHFFFAOYSA-N
XLogP4.39
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-benzoylpiperidin-4-yl)-N-(diaminomethylidene)-3-(trifluoromethyl)benzamide
CID 58269513
4-[1-(4-carbamoylbenzoyl)piperidin-4-yl]-N-(diaminomethylidene)-3-(trifluoromethyl)benzamide
CID 58269620
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1-naphthamide
CID 16799353
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1-naphthamide
CID 16799373
N-(diaminomethylidene)-4-[1-(4-phenylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 58269585
N-(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1-naphthamide
CID 16799398
3-Naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 122203480
2-Benzyl-6-[2-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 171782155
2-Benzyl-6-[4-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 171782185
2-Benzyl-6-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 171782194
2-(2-Phenylethyl)-6-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 171782196
2-(2-Phenylethyl)-6-[4-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 171782201

Frequently Asked Questions

What is the IUPAC name of 8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 154667121) is 8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1ccc2c(-c3ccn4c(=O)ccnc4c3)cccc2c1)N1CCC(F)(F)CC1.
What is the InChIKey of 8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HTEYHERQVRINRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c25-24(26)8-12-28(13-9-24)23(31)18-4-5-20-16(14-18)2-1-3-19(20)17-7-11-29-21(15-17)27-10-6-22(29)30/h1-7,10-11,14-15H,8-9,12-13H2.
What are the key properties of 8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one?
8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 419.43 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 154667121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).