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

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

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Related Compounds

2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
CID 69078688
3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
CID 69077400
2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
CID 143854503
1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol
CID 76618478
6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine
CID 58190523
6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 138663784
3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine
CID 69079500
2-(1-ethylindazol-5-yl)propanoic acid
CID 84724339
(NE)-N-[1-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylidene]hydroxylamine
CID 140622894
2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline
CID 167447426
2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
CID 143854442
methanesulfonic acid;3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 56650917

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).