2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol

C21H21N7O — CID 76640941

IUPAC2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol
SMILESCC(c1ccc2c(cnn2CCO)c1)c1cnc2ccc(-c3cnn(C)c3)nn12
InChIInChI=1S/C21H21N7O/c1-14(15-3-5-19-16(9-15)10-24-27(19)7-8-29)20-12-22-21-6-4-18(25-28(20)21)17-11-23-26(2)13-17/h3-6,9-14,29H,7-8H2,1-2H3
InChIKeyOPJSXPJOCDJPRA-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.62
Rot. Bonds5

About 2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol

2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol (PubChem CID 76640941) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol
PubChem CID76640941
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol
SMILESCC(c1ccc2c(cnn2CCO)c1)c1cnc2ccc(-c3cnn(C)c3)nn12
InChIInChI=1S/C21H21N7O/c1-14(15-3-5-19-16(9-15)10-24-27(19)7-8-29)20-12-22-21-6-4-18(25-28(20)21)17-11-23-26(2)13-17/h3-6,9-14,29H,7-8H2,1-2H3
InChIKeyOPJSXPJOCDJPRA-UHFFFAOYSA-N
XLogP2.62
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol (CID 76640941) is 2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol is CC(c1ccc2c(cnn2CCO)c1)c1cnc2ccc(-c3cnn(C)c3)nn12.
What is the InChIKey of 2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol?
The InChIKey is OPJSXPJOCDJPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-14(15-3-5-19-16(9-15)10-24-27(19)7-8-29)20-12-22-21-6-4-18(25-28(20)21)17-11-23-26(2)13-17/h3-6,9-14,29H,7-8H2,1-2H3.
What are the key properties of 2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol?
2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol has a molecular weight of 387.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol is sourced from PubChem (CID 76640941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).