2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol

C25H19FN6O — CID 137128060

IUPAC2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol
SMILESCc1cc(-c2ncc(N(C)c3nccc(-c4ccc5ncccc5n4)c3O)cc2F)ccn1
InChIInChI=1S/C25H19FN6O/c1-15-12-16(7-10-27-15)23-19(26)13-17(14-30-23)32(2)25-24(33)18(8-11-29-25)20-5-6-21-22(31-20)4-3-9-28-21/h3-14,33H,1-2H3
InChIKeyILGDRULEIQLZIF-UHFFFAOYSA-N
MW438.47 g/mol
LogP5.07
Rot. Bonds4

About 2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol

2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol (PubChem CID 137128060) has the molecular formula C25H19FN6O and a molecular weight of 438.47 g/mol. Its IUPAC name is 2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol
PubChem CID137128060
Molecular FormulaC25H19FN6O
Molecular Weight438.47 g/mol
Exact Mass438.16
IUPAC Name2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol
SMILESCc1cc(-c2ncc(N(C)c3nccc(-c4ccc5ncccc5n4)c3O)cc2F)ccn1
InChIInChI=1S/C25H19FN6O/c1-15-12-16(7-10-27-15)23-19(26)13-17(14-30-23)32(2)25-24(33)18(8-11-29-25)20-5-6-21-22(31-20)4-3-9-28-21/h3-14,33H,1-2H3
InChIKeyILGDRULEIQLZIF-UHFFFAOYSA-N
XLogP5.07
TPSA87.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol?
The IUPAC name of 2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol (CID 137128060) is 2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol.
What is the SMILES notation for 2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol?
The canonical SMILES for 2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol is Cc1cc(-c2ncc(N(C)c3nccc(-c4ccc5ncccc5n4)c3O)cc2F)ccn1.
What is the InChIKey of 2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol?
The InChIKey is ILGDRULEIQLZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O/c1-15-12-16(7-10-27-15)23-19(26)13-17(14-30-23)32(2)25-24(33)18(8-11-29-25)20-5-6-21-22(31-20)4-3-9-28-21/h3-14,33H,1-2H3.
What are the key properties of 2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol?
2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol has a molecular weight of 438.47 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol is sourced from PubChem (CID 137128060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).