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

C25H27F2N9O2 — CID 167438749

IUPAC1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(1-propan-2-ylpyrazol-4-yl)azetidine-3-carboxamide
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(C(=O)Nc3cnn(C(C)C)c3)C2)nn1
InChIInChI=1S/C25H27F2N9O2/c1-15(2)35-13-19(10-28-35)29-25(37)18-11-34(12-18)22-8-9-23(32-31-22)38-14-21-16(3)30-33-36(21)20-6-4-17(5-7-20)24(26)27/h4-10,13,15,18,24H,11-12,14H2,1-3H3,(H,29,37)
InChIKeyGKYQHDZYHWQEHZ-UHFFFAOYSA-N
MW523.55 g/mol
LogP3.73
Rot. Bonds9

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

1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(1-propan-2-ylpyrazol-4-yl)azetidine-3-carboxamide (PubChem CID 167438749) has the molecular formula C25H27F2N9O2 and a molecular weight of 523.55 g/mol. Its IUPAC name is 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(1-propan-2-ylpyrazol-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(1-propan-2-ylpyrazol-4-yl)azetidine-3-carboxamide
PubChem CID167438749
Molecular FormulaC25H27F2N9O2
Molecular Weight523.55 g/mol
Exact Mass523.23
IUPAC Name1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(1-propan-2-ylpyrazol-4-yl)azetidine-3-carboxamide
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(C(=O)Nc3cnn(C(C)C)c3)C2)nn1
InChIInChI=1S/C25H27F2N9O2/c1-15(2)35-13-19(10-28-35)29-25(37)18-11-34(12-18)22-8-9-23(32-31-22)38-14-21-16(3)30-33-36(21)20-6-4-17(5-7-20)24(26)27/h4-10,13,15,18,24H,11-12,14H2,1-3H3,(H,29,37)
InChIKeyGKYQHDZYHWQEHZ-UHFFFAOYSA-N
XLogP3.73
TPSA115.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(1-propan-2-ylpyrazol-4-yl)azetidine-3-carboxamide with MolForge

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Related Compounds

US20250136581, Example 46
CID 167438731
US20250136581, Example 39
CID 167438737
US20250136581, Example 38
CID 167438738
US20250136581, Example 49
CID 167438739
US20250136581, Example 132
CID 167438740
US20250136581, Example 138
CID 167438748
US20250136581, Example 203
CID 167438750
US20250136581, Example 102
CID 167438752
US20250136581, Example 86
CID 167438755
US20250136581, Example 200
CID 167438757
US20250136581, Example 137
CID 167438759
US20250136581, Example 30
CID 167438760

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(1-propan-2-ylpyrazol-4-yl)azetidine-3-carboxamide?
The IUPAC name of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(1-propan-2-ylpyrazol-4-yl)azetidine-3-carboxamide (CID 167438749) is 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(1-propan-2-ylpyrazol-4-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-(1-propan-2-ylpyrazol-4-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(1-propan-2-ylpyrazol-4-yl)azetidine-3-carboxamide is Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(C(=O)Nc3cnn(C(C)C)c3)C2)nn1.
What is the InChIKey of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(1-propan-2-ylpyrazol-4-yl)azetidine-3-carboxamide?
The InChIKey is GKYQHDZYHWQEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N9O2/c1-15(2)35-13-19(10-28-35)29-25(37)18-11-34(12-18)22-8-9-23(32-31-22)38-14-21-16(3)30-33-36(21)20-6-4-17(5-7-20)24(26)27/h4-10,13,15,18,24H,11-12,14H2,1-3H3,(H,29,37).
What are the key properties of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(1-propan-2-ylpyrazol-4-yl)azetidine-3-carboxamide?
1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(1-propan-2-ylpyrazol-4-yl)azetidine-3-carboxamide has a molecular weight of 523.55 g/mol, XLogP of 3.73, 9 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-(1-propan-2-ylpyrazol-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 167438749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).