1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide

C23H23F2N9O2 — CID 167438752

IUPAC1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(C(=O)Nc3ccnn3C)C2)nn1
InChIInChI=1S/C23H23F2N9O2/c1-14-18(34(31-28-14)17-5-3-15(4-6-17)22(24)25)13-36-21-8-7-20(29-30-21)33-11-16(12-33)23(35)27-19-9-10-26-32(19)2/h3-10,16,22H,11-13H2,1-2H3,(H,27,35)
InChIKeyOIGRGBVORGABIN-UHFFFAOYSA-N
MW495.49 g/mol
LogP2.69
Rot. Bonds8

About 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide

1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide (PubChem CID 167438752) has the molecular formula C23H23F2N9O2 and a molecular weight of 495.49 g/mol. Its IUPAC name is 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide
PubChem CID167438752
Molecular FormulaC23H23F2N9O2
Molecular Weight495.49 g/mol
Exact Mass495.19
IUPAC Name1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(C(=O)Nc3ccnn3C)C2)nn1
InChIInChI=1S/C23H23F2N9O2/c1-14-18(34(31-28-14)17-5-3-15(4-6-17)22(24)25)13-36-21-8-7-20(29-30-21)33-11-16(12-33)23(35)27-19-9-10-26-32(19)2/h3-10,16,22H,11-13H2,1-2H3,(H,27,35)
InChIKeyOIGRGBVORGABIN-UHFFFAOYSA-N
XLogP2.69
TPSA115.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide?
The IUPAC name of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide (CID 167438752) is 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide is Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(C(=O)Nc3ccnn3C)C2)nn1.
What is the InChIKey of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide?
The InChIKey is OIGRGBVORGABIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N9O2/c1-14-18(34(31-28-14)17-5-3-15(4-6-17)22(24)25)13-36-21-8-7-20(29-30-21)33-11-16(12-33)23(35)27-19-9-10-26-32(19)2/h3-10,16,22H,11-13H2,1-2H3,(H,27,35).
What are the key properties of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide?
1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide has a molecular weight of 495.49 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(2-methylpyrazol-3-yl)azetidine-3-carboxamide is sourced from PubChem (CID 167438752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).