N-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine

C23H24FN5O — CID 171537422

IUPACN-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine
SMILES[H]/N=C/c1ccc(Oc2ccnc(-c3cc(C)c(NC4CNC4)c(F)c3)c2)cc1NC
InChIInChI=1S/C23H24FN5O/c1-14-7-16(8-20(24)23(14)29-17-12-27-13-17)22-10-19(5-6-28-22)30-18-4-3-15(11-25)21(9-18)26-2/h3-11,17,25-27,29H,12-13H2,1-2H3/b25-11+
InChIKeyBVXDLDIFWGUSKO-OPEKNORGSA-N
MW405.48 g/mol
LogP4.41
Rot. Bonds7

About N-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine

N-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine (PubChem CID 171537422) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine.

Molecular Properties

Compound NameN-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine
PubChem CID171537422
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC NameN-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine
SMILES[H]/N=C/c1ccc(Oc2ccnc(-c3cc(C)c(NC4CNC4)c(F)c3)c2)cc1NC
InChIInChI=1S/C23H24FN5O/c1-14-7-16(8-20(24)23(14)29-17-12-27-13-17)22-10-19(5-6-28-22)30-18-4-3-15(11-25)21(9-18)26-2/h3-11,17,25-27,29H,12-13H2,1-2H3/b25-11+
InChIKeyBVXDLDIFWGUSKO-OPEKNORGSA-N
XLogP4.41
TPSA82.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine?
The IUPAC name of N-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine (CID 171537422) is N-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine.
What is the SMILES notation for N-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine?
The canonical SMILES for N-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine is [H]/N=C/c1ccc(Oc2ccnc(-c3cc(C)c(NC4CNC4)c(F)c3)c2)cc1NC.
What is the InChIKey of N-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine?
The InChIKey is BVXDLDIFWGUSKO-OPEKNORGSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-14-7-16(8-20(24)23(14)29-17-12-27-13-17)22-10-19(5-6-28-22)30-18-4-3-15(11-25)21(9-18)26-2/h3-11,17,25-27,29H,12-13H2,1-2H3/b25-11+.
What are the key properties of N-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine?
N-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine has a molecular weight of 405.48 g/mol, XLogP of 4.41, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-6-methylphenyl]azetidin-3-amine is sourced from PubChem (CID 171537422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).