1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one

C23H26FN5O2 — CID 143586139

IUPAC1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(F)cc2n1CN1CCC(NCc2cc3c(cn2)OCCC3)CC1
InChIInChI=1S/C23H26FN5O2/c24-17-11-21-20(27-12-17)3-4-23(30)29(21)15-28-7-5-18(6-8-28)25-13-19-10-16-2-1-9-31-22(16)14-26-19/h3-4,10-12,14,18,25H,1-2,5-9,13,15H2
InChIKeyHANCSAPXKJLVKR-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.47
Rot. Bonds5

About 1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one

1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one (PubChem CID 143586139) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one
PubChem CID143586139
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(F)cc2n1CN1CCC(NCc2cc3c(cn2)OCCC3)CC1
InChIInChI=1S/C23H26FN5O2/c24-17-11-21-20(27-12-17)3-4-23(30)29(21)15-28-7-5-18(6-8-28)25-13-19-10-16-2-1-9-31-22(16)14-26-19/h3-4,10-12,14,18,25H,1-2,5-9,13,15H2
InChIKeyHANCSAPXKJLVKR-UHFFFAOYSA-N
XLogP2.47
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one?
The IUPAC name of 1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one (CID 143586139) is 1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one is O=c1ccc2ncc(F)cc2n1CN1CCC(NCc2cc3c(cn2)OCCC3)CC1.
What is the InChIKey of 1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one?
The InChIKey is HANCSAPXKJLVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c24-17-11-21-20(27-12-17)3-4-23(30)29(21)15-28-7-5-18(6-8-28)25-13-19-10-16-2-1-9-31-22(16)14-26-19/h3-4,10-12,14,18,25H,1-2,5-9,13,15H2.
What are the key properties of 1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one?
1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one has a molecular weight of 423.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one is sourced from PubChem (CID 143586139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).