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

C23H26ClFN4O — CID 58579445

IUPAC1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESCc1ncc(CCC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1Cl
InChIInChI=1S/C23H26ClFN4O/c1-16-20(24)12-18(14-26-16)3-2-17-6-8-28(9-7-17)10-11-29-22-13-19(25)15-27-21(22)4-5-23(29)30/h4-5,12-15,17H,2-3,6-11H2,1H3
InChIKeyPYXIVFNNDILECN-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.24
Rot. Bonds6

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

1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (PubChem CID 58579445) has the molecular formula C23H26ClFN4O and a molecular weight of 428.94 g/mol. Its IUPAC name is 1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
PubChem CID58579445
Molecular FormulaC23H26ClFN4O
Molecular Weight428.94 g/mol
Exact Mass428.18
IUPAC Name1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESCc1ncc(CCC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1Cl
InChIInChI=1S/C23H26ClFN4O/c1-16-20(24)12-18(14-26-16)3-2-17-6-8-28(9-7-17)10-11-29-22-13-19(25)15-27-21(22)4-5-23(29)30/h4-5,12-15,17H,2-3,6-11H2,1H3
InChIKeyPYXIVFNNDILECN-UHFFFAOYSA-N
XLogP4.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (CID 58579445) is 1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is Cc1ncc(CCC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1Cl.
What is the InChIKey of 1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The InChIKey is PYXIVFNNDILECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O/c1-16-20(24)12-18(14-26-16)3-2-17-6-8-28(9-7-17)10-11-29-22-13-19(25)15-27-21(22)4-5-23(29)30/h4-5,12-15,17H,2-3,6-11H2,1H3.
What are the key properties of 1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one has a molecular weight of 428.94 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(5-chloro-6-methyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).