7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

C23H26F2N4O2 — CID 58579383

IUPAC7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCc1ncc(CC[C@H]2CCN(CCn3c(=O)ccc4ncc(F)cc43)C[C@H]2O)cc1F
InChIInChI=1S/C23H26F2N4O2/c1-15-19(25)10-16(12-26-15)2-3-17-6-7-28(14-22(17)30)8-9-29-21-11-18(24)13-27-20(21)4-5-23(29)31/h4-5,10-13,17,22,30H,2-3,6-9,14H2,1H3/t17-,22+/m0/s1
InChIKeyDQNCHMXDFLFVJQ-HTAPYJJXSA-N
MW428.48 g/mol
LogP2.69
Rot. Bonds6

About 7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (PubChem CID 58579383) has the molecular formula C23H26F2N4O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is 7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
PubChem CID58579383
Molecular FormulaC23H26F2N4O2
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC Name7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCc1ncc(CC[C@H]2CCN(CCn3c(=O)ccc4ncc(F)cc43)C[C@H]2O)cc1F
InChIInChI=1S/C23H26F2N4O2/c1-15-19(25)10-16(12-26-15)2-3-17-6-7-28(14-22(17)30)8-9-29-21-11-18(24)13-27-20(21)4-5-23(29)31/h4-5,10-13,17,22,30H,2-3,6-9,14H2,1H3/t17-,22+/m0/s1
InChIKeyDQNCHMXDFLFVJQ-HTAPYJJXSA-N
XLogP2.69
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one
CID 143834335
1-[2-[(3S,4S)-4-[2-(3,4-dichlorophenyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 58579416
1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 58579445
[(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 68996430
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;hydrochloride
CID 68927113
1-[2-[(3S,4S)-4-[2-(3,4-dichlorophenyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 58579381
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one;methane
CID 159261184
1-[2-[(3R,4S)-4-[[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methylamino]-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 46846388
1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride
CID 67498576
7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid
CID 161252565
1-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one;hydrochloride
CID 172706824
1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 118712934

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The IUPAC name of 7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (CID 58579383) is 7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is Cc1ncc(CC[C@H]2CCN(CCn3c(=O)ccc4ncc(F)cc43)C[C@H]2O)cc1F.
What is the InChIKey of 7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The InChIKey is DQNCHMXDFLFVJQ-HTAPYJJXSA-N. The full InChI is InChI=1S/C23H26F2N4O2/c1-15-19(25)10-16(12-26-15)2-3-17-6-7-28(14-22(17)30)8-9-29-21-11-18(24)13-27-20(21)4-5-23(29)31/h4-5,10-13,17,22,30H,2-3,6-9,14H2,1H3/t17-,22+/m0/s1.
What are the key properties of 7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one has a molecular weight of 428.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).