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

C22H25BrFN5O — CID 68856400

IUPAC1-[2-[4-[(5-bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESCc1nc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)ccc1Br
InChIInChI=1S/C22H25BrFN5O/c1-15-19(23)3-2-18(27-15)14-25-17-6-8-28(9-7-17)10-11-29-21-12-16(24)13-26-20(21)4-5-22(29)30/h2-5,12-13,17,25H,6-11,14H2,1H3
InChIKeyIHTQDKDFPRTTOH-UHFFFAOYSA-N
MW474.38 g/mol
LogP3.26
Rot. Bonds6

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

1-[2-[4-[(5-bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (PubChem CID 68856400) has the molecular formula C22H25BrFN5O and a molecular weight of 474.38 g/mol. Its IUPAC name is 1-[2-[4-[(5-bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(5-bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
PubChem CID68856400
Molecular FormulaC22H25BrFN5O
Molecular Weight474.38 g/mol
Exact Mass473.12
IUPAC Name1-[2-[4-[(5-bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESCc1nc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)ccc1Br
InChIInChI=1S/C22H25BrFN5O/c1-15-19(23)3-2-18(27-15)14-25-17-6-8-28(9-7-17)10-11-29-21-12-16(24)13-26-20(21)4-5-22(29)30/h2-5,12-13,17,25H,6-11,14H2,1H3
InChIKeyIHTQDKDFPRTTOH-UHFFFAOYSA-N
XLogP3.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.38
LogP ≤ 53.26
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-bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[(5-bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (CID 68856400) is 1-[2-[4-[(5-bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(5-bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[(5-bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is Cc1nc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)ccc1Br.
What is the InChIKey of 1-[2-[4-[(5-bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The InChIKey is IHTQDKDFPRTTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrFN5O/c1-15-19(23)3-2-18(27-15)14-25-17-6-8-28(9-7-17)10-11-29-21-12-16(24)13-26-20(21)4-5-22(29)30/h2-5,12-13,17,25H,6-11,14H2,1H3.
What are the key properties of 1-[2-[4-[(5-bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
1-[2-[4-[(5-bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one has a molecular weight of 474.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(5-bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is sourced from PubChem (CID 68856400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).