1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea

C20H20N10O2S — CID 59232979

IUPAC1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea
SMILESCCNC(=O)Nc1cn2nc(Sc3nnc4ccc(-c5cnn(CCO)c5)cn34)ccc2n1
InChIInChI=1S/C20H20N10O2S/c1-2-21-19(32)24-15-12-30-16(23-15)5-6-18(27-30)33-20-26-25-17-4-3-13(11-29(17)20)14-9-22-28(10-14)7-8-31/h3-6,9-12,31H,2,7-8H2,1H3,(H2,21,24,32)
InChIKeyGGHMOPMEHNNKSQ-UHFFFAOYSA-N
MW464.52 g/mol
LogP1.92
Rot. Bonds7

About 1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea

1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea (PubChem CID 59232979) has the molecular formula C20H20N10O2S and a molecular weight of 464.52 g/mol. Its IUPAC name is 1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea
PubChem CID59232979
Molecular FormulaC20H20N10O2S
Molecular Weight464.52 g/mol
Exact Mass464.15
IUPAC Name1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea
SMILESCCNC(=O)Nc1cn2nc(Sc3nnc4ccc(-c5cnn(CCO)c5)cn34)ccc2n1
InChIInChI=1S/C20H20N10O2S/c1-2-21-19(32)24-15-12-30-16(23-15)5-6-18(27-30)33-20-26-25-17-4-3-13(11-29(17)20)14-9-22-28(10-14)7-8-31/h3-6,9-12,31H,2,7-8H2,1H3,(H2,21,24,32)
InChIKeyGGHMOPMEHNNKSQ-UHFFFAOYSA-N
XLogP1.92
TPSA139.56 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea (CID 59232979) is 1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea is CCNC(=O)Nc1cn2nc(Sc3nnc4ccc(-c5cnn(CCO)c5)cn34)ccc2n1.
What is the InChIKey of 1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea?
The InChIKey is GGHMOPMEHNNKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N10O2S/c1-2-21-19(32)24-15-12-30-16(23-15)5-6-18(27-30)33-20-26-25-17-4-3-13(11-29(17)20)14-9-22-28(10-14)7-8-31/h3-6,9-12,31H,2,7-8H2,1H3,(H2,21,24,32).
What are the key properties of 1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea?
1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea has a molecular weight of 464.52 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]urea is sourced from PubChem (CID 59232979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).