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

C23H26F2N4O — CID 58579463

IUPAC7-fluoro-1-[2-[4-[2-(6-fluoro-5-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCc1cc(CCC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cnc1F
InChIInChI=1S/C23H26F2N4O/c1-16-12-18(14-27-23(16)25)3-2-17-6-8-28(9-7-17)10-11-29-21-13-19(24)15-26-20(21)4-5-22(29)30/h4-5,12-15,17H,2-3,6-11H2,1H3
InChIKeyYRDBWNAMWPCYPK-UHFFFAOYSA-N
MW412.48 g/mol
LogP3.72
Rot. Bonds6

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

7-fluoro-1-[2-[4-[2-(6-fluoro-5-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (PubChem CID 58579463) has the molecular formula C23H26F2N4O and a molecular weight of 412.48 g/mol. Its IUPAC name is 7-fluoro-1-[2-[4-[2-(6-fluoro-5-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-fluoro-1-[2-[4-[2-(6-fluoro-5-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
PubChem CID58579463
Molecular FormulaC23H26F2N4O
Molecular Weight412.48 g/mol
Exact Mass412.21
IUPAC Name7-fluoro-1-[2-[4-[2-(6-fluoro-5-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCc1cc(CCC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cnc1F
InChIInChI=1S/C23H26F2N4O/c1-16-12-18(14-27-23(16)25)3-2-17-6-8-28(9-7-17)10-11-29-21-13-19(24)15-26-20(21)4-5-22(29)30/h4-5,12-15,17H,2-3,6-11H2,1H3
InChIKeyYRDBWNAMWPCYPK-UHFFFAOYSA-N
XLogP3.72
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[2-[4-[2-(6-fluoro-5-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The IUPAC name of 7-fluoro-1-[2-[4-[2-(6-fluoro-5-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (CID 58579463) is 7-fluoro-1-[2-[4-[2-(6-fluoro-5-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-fluoro-1-[2-[4-[2-(6-fluoro-5-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 7-fluoro-1-[2-[4-[2-(6-fluoro-5-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is Cc1cc(CCC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cnc1F.
What is the InChIKey of 7-fluoro-1-[2-[4-[2-(6-fluoro-5-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The InChIKey is YRDBWNAMWPCYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O/c1-16-12-18(14-27-23(16)25)3-2-17-6-8-28(9-7-17)10-11-29-21-13-19(24)15-26-20(21)4-5-22(29)30/h4-5,12-15,17H,2-3,6-11H2,1H3.
What are the key properties of 7-fluoro-1-[2-[4-[2-(6-fluoro-5-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
7-fluoro-1-[2-[4-[2-(6-fluoro-5-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one has a molecular weight of 412.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[2-[4-[2-(6-fluoro-5-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).