N-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C23H18N6O3 — CID 166108576

IUPACN-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2cnn3ncccc23)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C23H18N6O3/c1-14-20(21(28-32-14)15-7-4-3-5-8-15)22(30)26-18-11-10-17(27-23(18)31-2)16-13-25-29-19(16)9-6-12-24-29/h3-13H,1-2H3,(H,26,30)
InChIKeyCOBZZBMMFRXIQS-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.02
Rot. Bonds5

About N-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166108576) has the molecular formula C23H18N6O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID166108576
Molecular FormulaC23H18N6O3
Molecular Weight426.44 g/mol
Exact Mass426.14
IUPAC NameN-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2cnn3ncccc23)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C23H18N6O3/c1-14-20(21(28-32-14)15-7-4-3-5-8-15)22(30)26-18-11-10-17(27-23(18)31-2)16-13-25-29-19(16)9-6-12-24-29/h3-13H,1-2H3,(H,26,30)
InChIKeyCOBZZBMMFRXIQS-UHFFFAOYSA-N
XLogP4.02
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166108576) is N-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1nc(-c2cnn3ncccc23)ccc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is COBZZBMMFRXIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3/c1-14-20(21(28-32-14)15-7-4-3-5-8-15)22(30)26-18-11-10-17(27-23(18)31-2)16-13-25-29-19(16)9-6-12-24-29/h3-13H,1-2H3,(H,26,30).
What are the key properties of N-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).