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

C19H17N7OS — CID 59233062

IUPACN-[6-[(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESC=C(C)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
InChIInChI=1S/C19H17N7OS/c1-11(2)13-5-6-16-22-23-19(25(16)9-13)28-17-8-7-15-20-14(10-26(15)24-17)21-18(27)12-3-4-12/h5-10,12H,1,3-4H2,2H3,(H,21,27)
InChIKeyLAZPPSCLBMXYSU-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.30
Rot. Bonds5

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

N-[6-[(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233062) has the molecular formula C19H17N7OS and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[6-[(6-prop-1-en-2-yl-[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-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233062
Molecular FormulaC19H17N7OS
Molecular Weight391.46 g/mol
Exact Mass391.12
IUPAC NameN-[6-[(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESC=C(C)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
InChIInChI=1S/C19H17N7OS/c1-11(2)13-5-6-16-22-23-19(25(16)9-13)28-17-8-7-15-20-14(10-26(15)24-17)21-18(27)12-3-4-12/h5-10,12H,1,3-4H2,2H3,(H,21,27)
InChIKeyLAZPPSCLBMXYSU-UHFFFAOYSA-N
XLogP3.30
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-prop-1-en-2-yl-[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-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233062) is N-[6-[(6-prop-1-en-2-yl-[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-prop-1-en-2-yl-[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-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is C=C(C)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.
What is the InChIKey of N-[6-[(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is LAZPPSCLBMXYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7OS/c1-11(2)13-5-6-16-22-23-19(25(16)9-13)28-17-8-7-15-20-14(10-26(15)24-17)21-18(27)12-3-4-12/h5-10,12H,1,3-4H2,2H3,(H,21,27).
What are the key properties of N-[6-[(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).