N-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C17H14FN7OS — CID 59233064

IUPACN-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCc1c(F)ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n12
InChIInChI=1S/C17H14FN7OS/c1-9-11(18)4-5-14-21-22-17(25(9)14)27-15-7-6-13-19-12(8-24(13)23-15)20-16(26)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,20,26)
InChIKeyOTYYEAPGCXOQHX-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.72
Rot. Bonds4

About N-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233064) has the molecular formula C17H14FN7OS and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233064
Molecular FormulaC17H14FN7OS
Molecular Weight383.41 g/mol
Exact Mass383.10
IUPAC NameN-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCc1c(F)ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n12
InChIInChI=1S/C17H14FN7OS/c1-9-11(18)4-5-14-21-22-17(25(9)14)27-15-7-6-13-19-12(8-24(13)23-15)20-16(26)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,20,26)
InChIKeyOTYYEAPGCXOQHX-UHFFFAOYSA-N
XLogP2.72
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233064) is N-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is Cc1c(F)ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n12.
What is the InChIKey of N-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is OTYYEAPGCXOQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7OS/c1-9-11(18)4-5-14-21-22-17(25(9)14)27-15-7-6-13-19-12(8-24(13)23-15)20-16(26)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,20,26).
What are the key properties of N-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 383.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).