7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one

C24H20F2N4O2 — CID 154667377

IUPAC7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)cnc2c1=O
InChIInChI=1S/C24H20F2N4O2/c1-29-14-28-20-12-17(13-27-21(20)23(29)32)18-4-2-3-15-11-16(5-6-19(15)18)22(31)30-9-7-24(25,26)8-10-30/h2-6,11-14H,7-10H2,1H3
InChIKeyZIGJGXHYXPLZSA-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.02
Rot. Bonds2

About 7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one

7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 154667377) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is 7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
PubChem CID154667377
Molecular FormulaC24H20F2N4O2
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)cnc2c1=O
InChIInChI=1S/C24H20F2N4O2/c1-29-14-28-20-12-17(13-27-21(20)23(29)32)18-4-2-3-15-11-16(5-6-19(15)18)22(31)30-9-7-24(25,26)8-10-30/h2-6,11-14H,7-10H2,1H3
InChIKeyZIGJGXHYXPLZSA-UHFFFAOYSA-N
XLogP4.02
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
CID 154667306
6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one
CID 176733505
6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one
CID 154667127
5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-ethyl-3H-isoindol-1-one
CID 154667161
7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 154994533
4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzoic acid
CID 154667112
4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide
CID 154667267
7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one
CID 167390374
(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 154667126
3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 154667241
CID 163676622
CID 163676622
5'-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2'-methylspiro[cyclopropane-1,3'-isoindole]-1'-one
CID 170175781

Frequently Asked Questions

What is the IUPAC name of 7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one (CID 154667377) is 7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one is Cn1cnc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)cnc2c1=O.
What is the InChIKey of 7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is ZIGJGXHYXPLZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c1-29-14-28-20-12-17(13-27-21(20)23(29)32)18-4-2-3-15-11-16(5-6-19(15)18)22(31)30-9-7-24(25,26)8-10-30/h2-6,11-14H,7-10H2,1H3.
What are the key properties of 7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one?
7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 434.45 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 154667377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).