4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine

C23H25FN4O — CID 58266841

IUPAC4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine
SMILESCOc1cc(-c2cc(-c3ccc(CN4CCCCC4)cc3)cnc2F)c(N)cn1
InChIInChI=1S/C23H25FN4O/c1-29-22-12-19(21(25)14-26-22)20-11-18(13-27-23(20)24)17-7-5-16(6-8-17)15-28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10,15,25H2,1H3
InChIKeyFEXNPZMWFOKXFS-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.53
Rot. Bonds5

About 4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine

4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine (PubChem CID 58266841) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine.

Molecular Properties

Compound Name4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine
PubChem CID58266841
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine
SMILESCOc1cc(-c2cc(-c3ccc(CN4CCCCC4)cc3)cnc2F)c(N)cn1
InChIInChI=1S/C23H25FN4O/c1-29-22-12-19(21(25)14-26-22)20-11-18(13-27-23(20)24)17-7-5-16(6-8-17)15-28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10,15,25H2,1H3
InChIKeyFEXNPZMWFOKXFS-UHFFFAOYSA-N
XLogP4.53
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine?
The IUPAC name of 4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine (CID 58266841) is 4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine.
What is the SMILES notation for 4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine?
The canonical SMILES for 4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine is COc1cc(-c2cc(-c3ccc(CN4CCCCC4)cc3)cnc2F)c(N)cn1.
What is the InChIKey of 4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine?
The InChIKey is FEXNPZMWFOKXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-29-22-12-19(21(25)14-26-22)20-11-18(13-27-23(20)24)17-7-5-16(6-8-17)15-28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10,15,25H2,1H3.
What are the key properties of 4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine?
4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine has a molecular weight of 392.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 58266841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).