[1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol

C17H25N3O2 — CID 90133666

IUPAC[1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol
SMILESCC(C)Cn1nc(CN2CCOCC2)c2ccc(CO)cc21
InChIInChI=1S/C17H25N3O2/c1-13(2)10-20-17-9-14(12-21)3-4-15(17)16(18-20)11-19-5-7-22-8-6-19/h3-4,9,13,21H,5-8,10-12H2,1-2H3
InChIKeyHHUKLYDZXQPCJB-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.02
Rot. Bonds5

About [1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol

[1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol (PubChem CID 90133666) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol
PubChem CID90133666
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol
SMILESCC(C)Cn1nc(CN2CCOCC2)c2ccc(CO)cc21
InChIInChI=1S/C17H25N3O2/c1-13(2)10-20-17-9-14(12-21)3-4-15(17)16(18-20)11-19-5-7-22-8-6-19/h3-4,9,13,21H,5-8,10-12H2,1-2H3
InChIKeyHHUKLYDZXQPCJB-UHFFFAOYSA-N
XLogP2.02
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol?
The IUPAC name of [1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol (CID 90133666) is [1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol.
What is the SMILES notation for [1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol?
The canonical SMILES for [1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol is CC(C)Cn1nc(CN2CCOCC2)c2ccc(CO)cc21.
What is the InChIKey of [1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol?
The InChIKey is HHUKLYDZXQPCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(2)10-20-17-9-14(12-21)3-4-15(17)16(18-20)11-19-5-7-22-8-6-19/h3-4,9,13,21H,5-8,10-12H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol?
[1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol has a molecular weight of 303.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol is sourced from PubChem (CID 90133666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).