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

C23H27ClFN5O — CID 67996177

IUPAC1-[2-[4-[(5-chloro-6-ethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESCCc1ncc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1Cl
InChIInChI=1S/C23H27ClFN5O/c1-2-20-19(24)11-16(14-27-20)13-26-18-5-7-29(8-6-18)9-10-30-22-12-17(25)15-28-21(22)3-4-23(30)31/h3-4,11-12,14-15,18,26H,2,5-10,13H2,1H3
InChIKeyLVFOJVFPXANOLK-UHFFFAOYSA-N
MW443.95 g/mol
LogP3.40
Rot. Bonds7

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

1-[2-[4-[(5-chloro-6-ethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (PubChem CID 67996177) has the molecular formula C23H27ClFN5O and a molecular weight of 443.95 g/mol. Its IUPAC name is 1-[2-[4-[(5-chloro-6-ethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(5-chloro-6-ethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
PubChem CID67996177
Molecular FormulaC23H27ClFN5O
Molecular Weight443.95 g/mol
Exact Mass443.19
IUPAC Name1-[2-[4-[(5-chloro-6-ethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESCCc1ncc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1Cl
InChIInChI=1S/C23H27ClFN5O/c1-2-20-19(24)11-16(14-27-20)13-26-18-5-7-29(8-6-18)9-10-30-22-12-17(25)15-28-21(22)3-4-23(30)31/h3-4,11-12,14-15,18,26H,2,5-10,13H2,1H3
InChIKeyLVFOJVFPXANOLK-UHFFFAOYSA-N
XLogP3.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(5-chloro-6-ethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[(5-chloro-6-ethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (CID 67996177) is 1-[2-[4-[(5-chloro-6-ethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(5-chloro-6-ethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[(5-chloro-6-ethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is CCc1ncc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1Cl.
What is the InChIKey of 1-[2-[4-[(5-chloro-6-ethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The InChIKey is LVFOJVFPXANOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN5O/c1-2-20-19(24)11-16(14-27-20)13-26-18-5-7-29(8-6-18)9-10-30-22-12-17(25)15-28-21(22)3-4-23(30)31/h3-4,11-12,14-15,18,26H,2,5-10,13H2,1H3.
What are the key properties of 1-[2-[4-[(5-chloro-6-ethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
1-[2-[4-[(5-chloro-6-ethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one has a molecular weight of 443.95 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(5-chloro-6-ethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is sourced from PubChem (CID 67996177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).