N-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide

C17H15F3N6O3S — CID 146600553

IUPACN-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide
SMILESCn1c(-c2nc(C(=O)NC3CC3)ccc2S(C)(=O)=O)nc2cc(C(F)(F)F)nnc21
InChIInChI=1S/C17H15F3N6O3S/c1-26-14-10(7-12(24-25-14)17(18,19)20)23-15(26)13-11(30(2,28)29)6-5-9(22-13)16(27)21-8-3-4-8/h5-8H,3-4H2,1-2H3,(H,21,27)
InChIKeyHAYPKUMVKKNUGI-UHFFFAOYSA-N
MW440.41 g/mol
LogP1.74
Rot. Bonds4

About N-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide

N-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide (PubChem CID 146600553) has the molecular formula C17H15F3N6O3S and a molecular weight of 440.41 g/mol. Its IUPAC name is N-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide
PubChem CID146600553
Molecular FormulaC17H15F3N6O3S
Molecular Weight440.41 g/mol
Exact Mass440.09
IUPAC NameN-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide
SMILESCn1c(-c2nc(C(=O)NC3CC3)ccc2S(C)(=O)=O)nc2cc(C(F)(F)F)nnc21
InChIInChI=1S/C17H15F3N6O3S/c1-26-14-10(7-12(24-25-14)17(18,19)20)23-15(26)13-11(30(2,28)29)6-5-9(22-13)16(27)21-8-3-4-8/h5-8H,3-4H2,1-2H3,(H,21,27)
InChIKeyHAYPKUMVKKNUGI-UHFFFAOYSA-N
XLogP1.74
TPSA119.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide (CID 146600553) is N-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide is Cn1c(-c2nc(C(=O)NC3CC3)ccc2S(C)(=O)=O)nc2cc(C(F)(F)F)nnc21.
What is the InChIKey of N-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide?
The InChIKey is HAYPKUMVKKNUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O3S/c1-26-14-10(7-12(24-25-14)17(18,19)20)23-15(26)13-11(30(2,28)29)6-5-9(22-13)16(27)21-8-3-4-8/h5-8H,3-4H2,1-2H3,(H,21,27).
What are the key properties of N-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide?
N-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide has a molecular weight of 440.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146600553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).