N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide

C18H15F5N6O3S — CID 142465403

IUPACN-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide
SMILESCn1c(-c2nc(C(=O)NC3CC3)ccc2S(C)(=O)=O)nc2cc(C(F)(F)C(F)(F)F)nnc21
InChIInChI=1S/C18H15F5N6O3S/c1-29-14-10(7-12(27-28-14)17(19,20)18(21,22)23)26-15(29)13-11(33(2,31)32)6-5-9(25-13)16(30)24-8-3-4-8/h5-8H,3-4H2,1-2H3,(H,24,30)
InChIKeyGJPWAKYFPYWDCS-UHFFFAOYSA-N
MW490.41 g/mol
LogP2.38
Rot. Bonds5

About N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide

N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide (PubChem CID 142465403) has the molecular formula C18H15F5N6O3S and a molecular weight of 490.41 g/mol. Its IUPAC name is N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide
PubChem CID142465403
Molecular FormulaC18H15F5N6O3S
Molecular Weight490.41 g/mol
Exact Mass490.08
IUPAC NameN-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide
SMILESCn1c(-c2nc(C(=O)NC3CC3)ccc2S(C)(=O)=O)nc2cc(C(F)(F)C(F)(F)F)nnc21
InChIInChI=1S/C18H15F5N6O3S/c1-29-14-10(7-12(27-28-14)17(19,20)18(21,22)23)26-15(29)13-11(33(2,31)32)6-5-9(25-13)16(30)24-8-3-4-8/h5-8H,3-4H2,1-2H3,(H,24,30)
InChIKeyGJPWAKYFPYWDCS-UHFFFAOYSA-N
XLogP2.38
TPSA119.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide
CID 122485676
5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide
CID 126574490
5-ethylsulfonyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide
CID 126574757
5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide
CID 126580938
5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide
CID 126580961
N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)pyridin-4-yl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide
CID 130300662
N-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)pyridin-3-yl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide
CID 130300668
6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide
CID 135299001
6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N,N-dimethylpyridine-2-carboxamide
CID 135299002
N-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide
CID 135333532
1-[5-Ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-2-pyridinyl]-3-methylurea;molecular hydrogen
CID 142465381
1-[5-Ethylsulfonyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-2-yl]-3-methylurea
CID 142465382

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide (CID 142465403) is N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide is Cn1c(-c2nc(C(=O)NC3CC3)ccc2S(C)(=O)=O)nc2cc(C(F)(F)C(F)(F)F)nnc21.
What is the InChIKey of N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide?
The InChIKey is GJPWAKYFPYWDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N6O3S/c1-29-14-10(7-12(27-28-14)17(19,20)18(21,22)23)26-15(29)13-11(33(2,31)32)6-5-9(25-13)16(30)24-8-3-4-8/h5-8H,3-4H2,1-2H3,(H,24,30).
What are the key properties of N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide?
N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide has a molecular weight of 490.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[7-methyl-3-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridazin-6-yl]-5-methylsulfonylpyridine-2-carboxamide is sourced from PubChem (CID 142465403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).