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

C23H27F2N7O3 — CID 167438736

IUPAC4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxypropyl)piperazin-2-one
SMILESCOC(C)CN1CCN(c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cc3)nn2)CC1=O
InChIInChI=1S/C23H27F2N7O3/c1-15(34-3)12-31-11-10-30(13-22(31)33)20-8-9-21(28-27-20)35-14-19-16(2)26-29-32(19)18-6-4-17(5-7-18)23(24)25/h4-9,15,23H,10-14H2,1-3H3
InChIKeyJVTLMOGMINLRMO-UHFFFAOYSA-N
MW487.51 g/mol
LogP2.57
Rot. Bonds9

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

4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxypropyl)piperazin-2-one (PubChem CID 167438736) has the molecular formula C23H27F2N7O3 and a molecular weight of 487.51 g/mol. Its IUPAC name is 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxypropyl)piperazin-2-one.

Molecular Properties

Compound Name4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxypropyl)piperazin-2-one
PubChem CID167438736
Molecular FormulaC23H27F2N7O3
Molecular Weight487.51 g/mol
Exact Mass487.21
IUPAC Name4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxypropyl)piperazin-2-one
SMILESCOC(C)CN1CCN(c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cc3)nn2)CC1=O
InChIInChI=1S/C23H27F2N7O3/c1-15(34-3)12-31-11-10-30(13-22(31)33)20-8-9-21(28-27-20)35-14-19-16(2)26-29-32(19)18-6-4-17(5-7-18)23(24)25/h4-9,15,23H,10-14H2,1-3H3
InChIKeyJVTLMOGMINLRMO-UHFFFAOYSA-N
XLogP2.57
TPSA98.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 52.57
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-methoxypropyl)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

Related Compounds

US20250136581, Example 174
CID 167438730
US20250136581, Example 46
CID 167438731
US20250136581, Example 201
CID 167438735
US20250136581, Example 39
CID 167438737
US20250136581, Example 38
CID 167438738
US20250136581, Example 49
CID 167438739
US20250136581, Example 132
CID 167438740
US20250136581, Example 139
CID 167438745
US20250136581, Example 59
CID 167438746
US20250136581, Example 138
CID 167438748
US20250136581, Example 203
CID 167438750
US20250136581, Example 107
CID 167438754

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-methoxypropyl)piperazin-2-one?
The IUPAC name of 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxypropyl)piperazin-2-one (CID 167438736) is 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxypropyl)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-methoxypropyl)piperazin-2-one?
The canonical SMILES for 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxypropyl)piperazin-2-one is COC(C)CN1CCN(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-methoxypropyl)piperazin-2-one?
The InChIKey is JVTLMOGMINLRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N7O3/c1-15(34-3)12-31-11-10-30(13-22(31)33)20-8-9-21(28-27-20)35-14-19-16(2)26-29-32(19)18-6-4-17(5-7-18)23(24)25/h4-9,15,23H,10-14H2,1-3H3.
What are the key properties of 4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxypropyl)piperazin-2-one?
4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1-(2-methoxypropyl)piperazin-2-one has a molecular weight of 487.51 g/mol, XLogP of 2.57, 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-methoxypropyl)piperazin-2-one is sourced from PubChem (CID 167438736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).