7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C25H28F2N8O — CID 90289294

IUPAC7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCOC5CN(CC(F)F)C5)c4)cc3n2)c1
InChIInChI=1S/C25H28F2N8O/c1-16(2)17-8-25(33-29-10-17)32-24-4-3-21-22(31-24)7-18(9-28-21)19-11-30-35(12-19)5-6-36-20-13-34(14-20)15-23(26)27/h3-4,7-12,16,20,23H,5-6,13-15H2,1-2H3,(H,31,32,33)
InChIKeyPXXQKPBPXOVRJD-UHFFFAOYSA-N
MW494.55 g/mol
LogP4.12
Rot. Bonds10

About 7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90289294) has the molecular formula C25H28F2N8O and a molecular weight of 494.55 g/mol. Its IUPAC name is 7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90289294
Molecular FormulaC25H28F2N8O
Molecular Weight494.55 g/mol
Exact Mass494.24
IUPAC Name7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCOC5CN(CC(F)F)C5)c4)cc3n2)c1
InChIInChI=1S/C25H28F2N8O/c1-16(2)17-8-25(33-29-10-17)32-24-4-3-21-22(31-24)7-18(9-28-21)19-11-30-35(12-19)5-6-36-20-13-34(14-20)15-23(26)27/h3-4,7-12,16,20,23H,5-6,13-15H2,1-2H3,(H,31,32,33)
InChIKeyPXXQKPBPXOVRJD-UHFFFAOYSA-N
XLogP4.12
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-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 7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90289294) is 7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCOC5CN(CC(F)F)C5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is PXXQKPBPXOVRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N8O/c1-16(2)17-8-25(33-29-10-17)32-24-4-3-21-22(31-24)7-18(9-28-21)19-11-30-35(12-19)5-6-36-20-13-34(14-20)15-23(26)27/h3-4,7-12,16,20,23H,5-6,13-15H2,1-2H3,(H,31,32,33).
What are the key properties of 7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 494.55 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]oxyethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).