[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol

C21H20FN5O — CID 139323753

IUPAC[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol
SMILESCC(CNc1ccc(-c2ccc3n[nH]c(CO)c3c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN5O/c1-13(14-2-5-16(22)6-3-14)11-23-21-9-8-18(24-27-21)15-4-7-19-17(10-15)20(12-28)26-25-19/h2-10,13,28H,11-12H2,1H3,(H,23,27)(H,25,26)
InChIKeyOCYMIOMHMRMRTF-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.87
Rot. Bonds6

About [5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol

[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol (PubChem CID 139323753) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is [5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol
PubChem CID139323753
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol
SMILESCC(CNc1ccc(-c2ccc3n[nH]c(CO)c3c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN5O/c1-13(14-2-5-16(22)6-3-14)11-23-21-9-8-18(24-27-21)15-4-7-19-17(10-15)20(12-28)26-25-19/h2-10,13,28H,11-12H2,1H3,(H,23,27)(H,25,26)
InChIKeyOCYMIOMHMRMRTF-UHFFFAOYSA-N
XLogP3.87
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol?
The IUPAC name of [5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol (CID 139323753) is [5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol.
What is the SMILES notation for [5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol?
The canonical SMILES for [5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol is CC(CNc1ccc(-c2ccc3n[nH]c(CO)c3c2)nn1)c1ccc(F)cc1.
What is the InChIKey of [5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol?
The InChIKey is OCYMIOMHMRMRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-13(14-2-5-16(22)6-3-14)11-23-21-9-8-18(24-27-21)15-4-7-19-17(10-15)20(12-28)26-25-19/h2-10,13,28H,11-12H2,1H3,(H,23,27)(H,25,26).
What are the key properties of [5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol?
[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol has a molecular weight of 377.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol is sourced from PubChem (CID 139323753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).