N-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C20H17F2N7O — CID 59233101

IUPACN-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESC=C(C)c1ccc2nnc(C(F)(F)c3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
InChIInChI=1S/C20H17F2N7O/c1-11(2)13-5-7-17-25-26-19(28(17)9-13)20(21,22)14-6-8-16-23-15(10-29(16)27-14)24-18(30)12-3-4-12/h5-10,12H,1,3-4H2,2H3,(H,24,30)
InChIKeyGIVLUPAWOYNWMG-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.29
Rot. Bonds5

About N-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233101) has the molecular formula C20H17F2N7O and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233101
Molecular FormulaC20H17F2N7O
Molecular Weight409.40 g/mol
Exact Mass409.15
IUPAC NameN-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESC=C(C)c1ccc2nnc(C(F)(F)c3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
InChIInChI=1S/C20H17F2N7O/c1-11(2)13-5-7-17-25-26-19(28(17)9-13)20(21,22)14-6-8-16-23-15(10-29(16)27-14)24-18(30)12-3-4-12/h5-10,12H,1,3-4H2,2H3,(H,24,30)
InChIKeyGIVLUPAWOYNWMG-UHFFFAOYSA-N
XLogP3.29
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233101) is N-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is C=C(C)c1ccc2nnc(C(F)(F)c3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.
What is the InChIKey of N-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is GIVLUPAWOYNWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N7O/c1-11(2)13-5-7-17-25-26-19(28(17)9-13)20(21,22)14-6-8-16-23-15(10-29(16)27-14)24-18(30)12-3-4-12/h5-10,12H,1,3-4H2,2H3,(H,24,30).
What are the key properties of N-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 409.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[difluoro-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).