N-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide

C26H24F2N4O4 — CID 163405170

IUPACN-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide
SMILESCC(C)(C#N)c1ccc(NC(=O)c2cn(C3COC3)nc(-c3ccccc3OCC(F)F)c2=O)cc1
InChIInChI=1S/C26H24F2N4O4/c1-26(2,15-29)16-7-9-17(10-8-16)30-25(34)20-11-32(18-12-35-13-18)31-23(24(20)33)19-5-3-4-6-21(19)36-14-22(27)28/h3-11,18,22H,12-14H2,1-2H3,(H,30,34)
InChIKeyAVQSDUWNMVUUTN-UHFFFAOYSA-N
MW494.50 g/mol
LogP4.18
Rot. Bonds8

About N-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide

N-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide (PubChem CID 163405170) has the molecular formula C26H24F2N4O4 and a molecular weight of 494.50 g/mol. Its IUPAC name is N-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide
PubChem CID163405170
Molecular FormulaC26H24F2N4O4
Molecular Weight494.50 g/mol
Exact Mass494.18
IUPAC NameN-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide
SMILESCC(C)(C#N)c1ccc(NC(=O)c2cn(C3COC3)nc(-c3ccccc3OCC(F)F)c2=O)cc1
InChIInChI=1S/C26H24F2N4O4/c1-26(2,15-29)16-7-9-17(10-8-16)30-25(34)20-11-32(18-12-35-13-18)31-23(24(20)33)19-5-3-4-6-21(19)36-14-22(27)28/h3-11,18,22H,12-14H2,1-2H3,(H,30,34)
InChIKeyAVQSDUWNMVUUTN-UHFFFAOYSA-N
XLogP4.18
TPSA106.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide 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-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide?
The IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide (CID 163405170) is N-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide?
The canonical SMILES for N-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide is CC(C)(C#N)c1ccc(NC(=O)c2cn(C3COC3)nc(-c3ccccc3OCC(F)F)c2=O)cc1.
What is the InChIKey of N-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide?
The InChIKey is AVQSDUWNMVUUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O4/c1-26(2,15-29)16-7-9-17(10-8-16)30-25(34)20-11-32(18-12-35-13-18)31-23(24(20)33)19-5-3-4-6-21(19)36-14-22(27)28/h3-11,18,22H,12-14H2,1-2H3,(H,30,34).
What are the key properties of N-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide?
N-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide has a molecular weight of 494.50 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanopropan-2-yl)phenyl]-6-[2-(2,2-difluoroethoxy)phenyl]-2-(oxetan-3-yl)-5-oxopyridazine-4-carboxamide is sourced from PubChem (CID 163405170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).