1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one

C22H28FN3O — CID 158828688

IUPAC1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one
SMILESCc1cc(N2CCc3ncc(F)cc3C2)nc(C)c1CC(=O)CC(C)(C)C
InChIInChI=1S/C22H28FN3O/c1-14-8-21(25-15(2)19(14)10-18(27)11-22(3,4)5)26-7-6-20-16(13-26)9-17(23)12-24-20/h8-9,12H,6-7,10-11,13H2,1-5H3
InChIKeyBHBVSKQEWIRUHR-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.34
Rot. Bonds4

About 1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one

1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one (PubChem CID 158828688) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one
PubChem CID158828688
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one
SMILESCc1cc(N2CCc3ncc(F)cc3C2)nc(C)c1CC(=O)CC(C)(C)C
InChIInChI=1S/C22H28FN3O/c1-14-8-21(25-15(2)19(14)10-18(27)11-22(3,4)5)26-7-6-20-16(13-26)9-17(23)12-24-20/h8-9,12H,6-7,10-11,13H2,1-5H3
InChIKeyBHBVSKQEWIRUHR-UHFFFAOYSA-N
XLogP4.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide
CID 66770244
N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide
CID 176711202
N-[2,4-dimethyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 68739807
1-[2-chloro-4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylphenyl]-4,4-dimethylpentan-2-one
CID 58097367
3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde
CID 169158407
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
CID 102545800
N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 176711240
1-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-one
CID 114347218
methyl 6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carboxylate
CID 133421468
2-(6-ethyl-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propan-2-amine
CID 82452395
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545814
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide
CID 59868727

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one?
The IUPAC name of 1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one (CID 158828688) is 1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one is Cc1cc(N2CCc3ncc(F)cc3C2)nc(C)c1CC(=O)CC(C)(C)C.
What is the InChIKey of 1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one?
The InChIKey is BHBVSKQEWIRUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-14-8-21(25-15(2)19(14)10-18(27)11-22(3,4)5)26-7-6-20-16(13-26)9-17(23)12-24-20/h8-9,12H,6-7,10-11,13H2,1-5H3.
What are the key properties of 1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one?
1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one has a molecular weight of 369.48 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-fluoro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,4-dimethyl-3-pyridinyl]-4,4-dimethylpentan-2-one is sourced from PubChem (CID 158828688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).