3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H18N8O3S — CID 59233152

IUPAC3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCCO)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
InChIInChI=1S/C19H18N8O3S/c28-8-7-20-17(29)12-3-4-15-23-24-19(26(15)9-12)31-16-6-5-14-21-13(10-27(14)25-16)22-18(30)11-1-2-11/h3-6,9-11,28H,1-2,7-8H2,(H,20,29)(H,22,30)
InChIKeyWMYWZUFGVIXEIU-UHFFFAOYSA-N
MW438.47 g/mol
LogP0.99
Rot. Bonds7

About 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 59233152) has the molecular formula C19H18N8O3S and a molecular weight of 438.47 g/mol. Its IUPAC name is 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID59233152
Molecular FormulaC19H18N8O3S
Molecular Weight438.47 g/mol
Exact Mass438.12
IUPAC Name3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCCO)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
InChIInChI=1S/C19H18N8O3S/c28-8-7-20-17(29)12-3-4-15-23-24-19(26(15)9-12)31-16-6-5-14-21-13(10-27(14)25-16)22-18(30)11-1-2-11/h3-6,9-11,28H,1-2,7-8H2,(H,20,29)(H,22,30)
InChIKeyWMYWZUFGVIXEIU-UHFFFAOYSA-N
XLogP0.99
TPSA138.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 59233152) is 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCCO)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.
What is the InChIKey of 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is WMYWZUFGVIXEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O3S/c28-8-7-20-17(29)12-3-4-15-23-24-19(26(15)9-12)31-16-6-5-14-21-13(10-27(14)25-16)22-18(30)11-1-2-11/h3-6,9-11,28H,1-2,7-8H2,(H,20,29)(H,22,30).
What are the key properties of 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 438.47 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 59233152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).