3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine

C17H11F3N8O2S — CID 121343134

IUPAC3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(C(F)(F)F)nn45)c3c2)cn1
InChIInChI=1S/C17H11F3N8O2S/c1-26-9-11(6-23-26)10-4-13-12(21-5-10)7-24-28(13)31(29,30)16-8-22-15-3-2-14(17(18,19)20)25-27(15)16/h2-9H,1H3
InChIKeyYEIDILPCGNAVAD-UHFFFAOYSA-N
MW448.39 g/mol
LogP2.13
Rot. Bonds3

About 3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine

3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 121343134) has the molecular formula C17H11F3N8O2S and a molecular weight of 448.39 g/mol. Its IUPAC name is 3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID121343134
Molecular FormulaC17H11F3N8O2S
Molecular Weight448.39 g/mol
Exact Mass448.07
IUPAC Name3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(C(F)(F)F)nn45)c3c2)cn1
InChIInChI=1S/C17H11F3N8O2S/c1-26-9-11(6-23-26)10-4-13-12(21-5-10)7-24-28(13)31(29,30)16-8-22-15-3-2-14(17(18,19)20)25-27(15)16/h2-9H,1H3
InChIKeyYEIDILPCGNAVAD-UHFFFAOYSA-N
XLogP2.13
TPSA112.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 121343134) is 3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine is Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(C(F)(F)F)nn45)c3c2)cn1.
What is the InChIKey of 3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is YEIDILPCGNAVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N8O2S/c1-26-9-11(6-23-26)10-4-13-12(21-5-10)7-24-28(13)31(29,30)16-8-22-15-3-2-14(17(18,19)20)25-27(15)16/h2-9H,1H3.
What are the key properties of 3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?
3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 448.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 121343134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).