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

C22H25F2N5O — CID 67996015

IUPAC7-fluoro-1-[2-[4-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCc1cc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cnc1F
InChIInChI=1S/C22H25F2N5O/c1-15-10-16(13-27-22(15)24)12-25-18-4-6-28(7-5-18)8-9-29-20-11-17(23)14-26-19(20)2-3-21(29)30/h2-3,10-11,13-14,18,25H,4-9,12H2,1H3
InChIKeyHDZUHMZHVNBWTQ-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.63
Rot. Bonds6

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

7-fluoro-1-[2-[4-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (PubChem CID 67996015) has the molecular formula C22H25F2N5O and a molecular weight of 413.47 g/mol. Its IUPAC name is 7-fluoro-1-[2-[4-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-fluoro-1-[2-[4-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
PubChem CID67996015
Molecular FormulaC22H25F2N5O
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name7-fluoro-1-[2-[4-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCc1cc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cnc1F
InChIInChI=1S/C22H25F2N5O/c1-15-10-16(13-27-22(15)24)12-25-18-4-6-28(7-5-18)8-9-29-20-11-17(23)14-26-19(20)2-3-21(29)30/h2-3,10-11,13-14,18,25H,4-9,12H2,1H3
InChIKeyHDZUHMZHVNBWTQ-UHFFFAOYSA-N
XLogP2.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The IUPAC name of 7-fluoro-1-[2-[4-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (CID 67996015) is 7-fluoro-1-[2-[4-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-fluoro-1-[2-[4-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 7-fluoro-1-[2-[4-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is Cc1cc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cnc1F.
What is the InChIKey of 7-fluoro-1-[2-[4-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The InChIKey is HDZUHMZHVNBWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O/c1-15-10-16(13-27-22(15)24)12-25-18-4-6-28(7-5-18)8-9-29-20-11-17(23)14-26-19(20)2-3-21(29)30/h2-3,10-11,13-14,18,25H,4-9,12H2,1H3.
What are the key properties of 7-fluoro-1-[2-[4-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
7-fluoro-1-[2-[4-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one has a molecular weight of 413.47 g/mol, XLogP of 2.63, 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-[4-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 67996015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).