(6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid

C20H19ClN6O2 — CID 170318186

IUPAC(6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid
SMILESCC(C)c1cnc2c(N(Cc3ccccc3-n3cccn3)C(=O)O)cc(Cl)nn12
InChIInChI=1S/C20H19ClN6O2/c1-13(2)17-11-22-19-16(10-18(21)24-27(17)19)25(20(28)29)12-14-6-3-4-7-15(14)26-9-5-8-23-26/h3-11,13H,12H2,1-2H3,(H,28,29)
InChIKeyLZNNCTHVXWQAOK-UHFFFAOYSA-N
MW410.87 g/mol
LogP4.38
Rot. Bonds5

About (6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid

(6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid (PubChem CID 170318186) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is (6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid.

Molecular Properties

Compound Name(6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid
PubChem CID170318186
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC Name(6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid
SMILESCC(C)c1cnc2c(N(Cc3ccccc3-n3cccn3)C(=O)O)cc(Cl)nn12
InChIInChI=1S/C20H19ClN6O2/c1-13(2)17-11-22-19-16(10-18(21)24-27(17)19)25(20(28)29)12-14-6-3-4-7-15(14)26-9-5-8-23-26/h3-11,13H,12H2,1-2H3,(H,28,29)
InChIKeyLZNNCTHVXWQAOK-UHFFFAOYSA-N
XLogP4.38
TPSA88.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid?
The IUPAC name of (6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid (CID 170318186) is (6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid.
What is the SMILES notation for (6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid?
The canonical SMILES for (6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid is CC(C)c1cnc2c(N(Cc3ccccc3-n3cccn3)C(=O)O)cc(Cl)nn12.
What is the InChIKey of (6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid?
The InChIKey is LZNNCTHVXWQAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c1-13(2)17-11-22-19-16(10-18(21)24-27(17)19)25(20(28)29)12-14-6-3-4-7-15(14)26-9-5-8-23-26/h3-11,13H,12H2,1-2H3,(H,28,29).
What are the key properties of (6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid?
(6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid has a molecular weight of 410.87 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)-[(2-pyrazol-1-ylphenyl)methyl]carbamic acid is sourced from PubChem (CID 170318186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).