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

C25H24F2N8O3 — CID 167438891

IUPAC1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide
SMILESCOc1cccnc1NC(=O)C1CN(c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cc3)nn2)C1
InChIInChI=1S/C25H24F2N8O3/c1-15-19(35(33-30-15)18-7-5-16(6-8-18)23(26)27)14-38-22-10-9-21(31-32-22)34-12-17(13-34)25(36)29-24-20(37-2)4-3-11-28-24/h3-11,17,23H,12-14H2,1-2H3,(H,28,29,36)
InChIKeyPWUGVABQDQFCJU-UHFFFAOYSA-N
MW522.52 g/mol
LogP3.36
Rot. Bonds9

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

1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide (PubChem CID 167438891) has the molecular formula C25H24F2N8O3 and a molecular weight of 522.52 g/mol. Its IUPAC name is 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide
PubChem CID167438891
Molecular FormulaC25H24F2N8O3
Molecular Weight522.52 g/mol
Exact Mass522.19
IUPAC Name1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide
SMILESCOc1cccnc1NC(=O)C1CN(c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cc3)nn2)C1
InChIInChI=1S/C25H24F2N8O3/c1-15-19(35(33-30-15)18-7-5-16(6-8-18)23(26)27)14-38-22-10-9-21(31-32-22)34-12-17(13-34)25(36)29-24-20(37-2)4-3-11-28-24/h3-11,17,23H,12-14H2,1-2H3,(H,28,29,36)
InChIKeyPWUGVABQDQFCJU-UHFFFAOYSA-N
XLogP3.36
TPSA120.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.52
LogP ≤ 53.36
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-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide?
The IUPAC name of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide (CID 167438891) is 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide?
The canonical SMILES for 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide is COc1cccnc1NC(=O)C1CN(c2ccc(OCc3c(C)nnn3-c3ccc(C(F)F)cc3)nn2)C1.
What is the InChIKey of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide?
The InChIKey is PWUGVABQDQFCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N8O3/c1-15-19(35(33-30-15)18-7-5-16(6-8-18)23(26)27)14-38-22-10-9-21(31-32-22)34-12-17(13-34)25(36)29-24-20(37-2)4-3-11-28-24/h3-11,17,23H,12-14H2,1-2H3,(H,28,29,36).
What are the key properties of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide?
1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide has a molecular weight of 522.52 g/mol, XLogP of 3.36, 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-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide is sourced from PubChem (CID 167438891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).