2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine

C24H19N5O — CID 118375222

IUPAC2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ncccc4n3)cc2)n1
InChIInChI=1S/C24H19N5O/c1-29-15-21(17-10-13-25-14-11-17)24(28-29)18-4-7-20(8-5-18)30-16-19-6-9-22-23(27-19)3-2-12-26-22/h2-15H,16H2,1H3
InChIKeyIFXPHSNHMFZMDU-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.67
Rot. Bonds5

About 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine

2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine (PubChem CID 118375222) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine
PubChem CID118375222
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ncccc4n3)cc2)n1
InChIInChI=1S/C24H19N5O/c1-29-15-21(17-10-13-25-14-11-17)24(28-29)18-4-7-20(8-5-18)30-16-19-6-9-22-23(27-19)3-2-12-26-22/h2-15H,16H2,1H3
InChIKeyIFXPHSNHMFZMDU-UHFFFAOYSA-N
XLogP4.67
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine 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 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine?
The IUPAC name of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine (CID 118375222) is 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine.
What is the SMILES notation for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine?
The canonical SMILES for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine is Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ncccc4n3)cc2)n1.
What is the InChIKey of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine?
The InChIKey is IFXPHSNHMFZMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-29-15-21(17-10-13-25-14-11-17)24(28-29)18-4-7-20(8-5-18)30-16-19-6-9-22-23(27-19)3-2-12-26-22/h2-15H,16H2,1H3.
What are the key properties of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine?
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine has a molecular weight of 393.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,5-naphthyridine is sourced from PubChem (CID 118375222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).