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

C19H17N11OS — CID 59232981

IUPACN-[6-[[6-(2-ethyltetrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCCn1nnc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)n1
InChIInChI=1S/C19H17N11OS/c1-2-30-26-17(23-27-30)12-5-6-15-22-24-19(28(15)9-12)32-16-8-7-14-20-13(10-29(14)25-16)21-18(31)11-3-4-11/h5-11H,2-4H2,1H3,(H,21,31)
InChIKeyOQUZAIMSSSACGU-UHFFFAOYSA-N
MW447.49 g/mol
LogP1.95
Rot. Bonds6

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

N-[6-[[6-(2-ethyltetrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59232981) has the molecular formula C19H17N11OS and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[6-[[6-(2-ethyltetrazol-5-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-(2-ethyltetrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59232981
Molecular FormulaC19H17N11OS
Molecular Weight447.49 g/mol
Exact Mass447.13
IUPAC NameN-[6-[[6-(2-ethyltetrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCCn1nnc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)n1
InChIInChI=1S/C19H17N11OS/c1-2-30-26-17(23-27-30)12-5-6-15-22-24-19(28(15)9-12)32-16-8-7-14-20-13(10-29(14)25-16)21-18(31)11-3-4-11/h5-11H,2-4H2,1H3,(H,21,31)
InChIKeyOQUZAIMSSSACGU-UHFFFAOYSA-N
XLogP1.95
TPSA133.08 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-[6-[[6-(2-ethyltetrazol-5-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-(2-ethyltetrazol-5-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-(2-ethyltetrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59232981) is N-[6-[[6-(2-ethyltetrazol-5-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-(2-ethyltetrazol-5-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-(2-ethyltetrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CCn1nnc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)n1.
What is the InChIKey of N-[6-[[6-(2-ethyltetrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is OQUZAIMSSSACGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N11OS/c1-2-30-26-17(23-27-30)12-5-6-15-22-24-19(28(15)9-12)32-16-8-7-14-20-13(10-29(14)25-16)21-18(31)11-3-4-11/h5-11H,2-4H2,1H3,(H,21,31).
What are the key properties of N-[6-[[6-(2-ethyltetrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-(2-ethyltetrazol-5-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 447.49 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-(2-ethyltetrazol-5-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 59232981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).