4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one

C22H25F2N7O3 — CID 167438745

IUPAC4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one
SMILESCOCCN1CCN(c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cc3)nn2)CC1=O
InChIInChI=1S/C22H25F2N7O3/c1-15-18(31(28-25-15)17-5-3-16(4-6-17)22(23)24)14-34-20-8-7-19(26-27-20)30-10-9-29(11-12-33-2)21(32)13-30/h3-8,22H,9-14H2,1-2H3
InChIKeyNVYLEVIIIYCRKC-UHFFFAOYSA-N
MW473.48 g/mol
LogP2.18
Rot. Bonds9

About 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one

4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one (PubChem CID 167438745) has the molecular formula C22H25F2N7O3 and a molecular weight of 473.48 g/mol. Its IUPAC name is 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one
PubChem CID167438745
Molecular FormulaC22H25F2N7O3
Molecular Weight473.48 g/mol
Exact Mass473.20
IUPAC Name4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one
SMILESCOCCN1CCN(c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cc3)nn2)CC1=O
InChIInChI=1S/C22H25F2N7O3/c1-15-18(31(28-25-15)17-5-3-16(4-6-17)22(23)24)14-34-20-8-7-19(26-27-20)30-10-9-29(11-12-33-2)21(32)13-30/h3-8,22H,9-14H2,1-2H3
InChIKeyNVYLEVIIIYCRKC-UHFFFAOYSA-N
XLogP2.18
TPSA98.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one 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 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one?
The IUPAC name of 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one (CID 167438745) is 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one.
What is the SMILES notation for 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one?
The canonical SMILES for 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one is COCCN1CCN(c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cc3)nn2)CC1=O.
What is the InChIKey of 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one?
The InChIKey is NVYLEVIIIYCRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7O3/c1-15-18(31(28-25-15)17-5-3-16(4-6-17)22(23)24)14-34-20-8-7-19(26-27-20)30-10-9-29(11-12-33-2)21(32)13-30/h3-8,22H,9-14H2,1-2H3.
What are the key properties of 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one?
4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one has a molecular weight of 473.48 g/mol, XLogP of 2.18, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxyethyl)piperazin-2-one is sourced from PubChem (CID 167438745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).