2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C20H18F3N7O — CID 135201822

IUPAC2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCCc1nc(NC(=O)c2c(C)nc3ccc(-c4ccccc4C(F)(F)F)nn23)n[nH]1
InChIInChI=1S/C20H18F3N7O/c1-3-6-15-25-19(28-27-15)26-18(31)17-11(2)24-16-10-9-14(29-30(16)17)12-7-4-5-8-13(12)20(21,22)23/h4-5,7-10H,3,6H2,1-2H3,(H2,25,26,27,28,31)
InChIKeyBMMXSRCKYUMUNT-UHFFFAOYSA-N
MW429.41 g/mol
LogP4.05
Rot. Bonds5

About 2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 135201822) has the molecular formula C20H18F3N7O and a molecular weight of 429.41 g/mol. Its IUPAC name is 2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID135201822
Molecular FormulaC20H18F3N7O
Molecular Weight429.41 g/mol
Exact Mass429.15
IUPAC Name2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCCc1nc(NC(=O)c2c(C)nc3ccc(-c4ccccc4C(F)(F)F)nn23)n[nH]1
InChIInChI=1S/C20H18F3N7O/c1-3-6-15-25-19(28-27-15)26-18(31)17-11(2)24-16-10-9-14(29-30(16)17)12-7-4-5-8-13(12)20(21,22)23/h4-5,7-10H,3,6H2,1-2H3,(H2,25,26,27,28,31)
InChIKeyBMMXSRCKYUMUNT-UHFFFAOYSA-N
XLogP4.05
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[1,3-dimethyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,5-dimethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 137651889
5-(difluoromethyl)-2-methyl-7-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 137655833
US9884868, Example 206''
CID 122510455
US9884868, Example 137''
CID 122510968
US9884868, Example 205''
CID 122510933
7-(4-fluoroanilino)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 134807661
N-(2-pyrrolidin-1-ylpyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 89526733
4-Methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 2818851
3,4-dimethyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-5-carboxamide
CID 90240468
N-benzyl-2,6-dimethyl-imidazo[1,2-b]pyridazine-3-carboxamide
CID 118706491
2,8-dimethyl-N-(pyridazin-3-yl)-6-(2-(trifluoromethyl)phenyl) imidazo[1,2-b]pyridazine-3-carboxamide
CID 89515529
4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 11724105

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 135201822) is 2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is CCCc1nc(NC(=O)c2c(C)nc3ccc(-c4ccccc4C(F)(F)F)nn23)n[nH]1.
What is the InChIKey of 2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is BMMXSRCKYUMUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O/c1-3-6-15-25-19(28-27-15)26-18(31)17-11(2)24-16-10-9-14(29-30(16)17)12-7-4-5-8-13(12)20(21,22)23/h4-5,7-10H,3,6H2,1-2H3,(H2,25,26,27,28,31).
What are the key properties of 2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 429.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-propyl-1H-1,2,4-triazol-3-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 135201822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).