N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine

C23H24F2N6 — CID 71559191

IUPACN-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCn1/c(=N/c2c(F)cccc2F)ccc2ncc(-c3cnn(C)c3)cc21
InChIInChI=1S/C23H24F2N6/c1-15(2)26-9-10-31-21-11-16(17-13-28-30(3)14-17)12-27-20(21)7-8-22(31)29-23-18(24)5-4-6-19(23)25/h4-8,11-15,26H,9-10H2,1-3H3/b29-22+
InChIKeyAKWOFMQLXKIAMX-QUPMIFSKSA-N
MW422.48 g/mol
LogP3.95
Rot. Bonds6

About N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine

N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine (PubChem CID 71559191) has the molecular formula C23H24F2N6 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine
PubChem CID71559191
Molecular FormulaC23H24F2N6
Molecular Weight422.48 g/mol
Exact Mass422.20
IUPAC NameN-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCn1/c(=N/c2c(F)cccc2F)ccc2ncc(-c3cnn(C)c3)cc21
InChIInChI=1S/C23H24F2N6/c1-15(2)26-9-10-31-21-11-16(17-13-28-30(3)14-17)12-27-20(21)7-8-22(31)29-23-18(24)5-4-6-19(23)25/h4-8,11-15,26H,9-10H2,1-3H3/b29-22+
InChIKeyAKWOFMQLXKIAMX-QUPMIFSKSA-N
XLogP3.95
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-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-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine (CID 71559191) is N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine is CC(C)NCCn1/c(=N/c2c(F)cccc2F)ccc2ncc(-c3cnn(C)c3)cc21.
What is the InChIKey of N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine?
The InChIKey is AKWOFMQLXKIAMX-QUPMIFSKSA-N. The full InChI is InChI=1S/C23H24F2N6/c1-15(2)26-9-10-31-21-11-16(17-13-28-30(3)14-17)12-27-20(21)7-8-22(31)29-23-18(24)5-4-6-19(23)25/h4-8,11-15,26H,9-10H2,1-3H3/b29-22+.
What are the key properties of N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine?
N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine has a molecular weight of 422.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 71559191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).