3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

C17H24N4O2 — CID 69430792

IUPAC3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESNC1CCCC(Oc2ccc3[nH]ncc3c2N2CCOCC2)C1
InChIInChI=1S/C17H24N4O2/c18-12-2-1-3-13(10-12)23-16-5-4-15-14(11-19-20-15)17(16)21-6-8-22-9-7-21/h4-5,11-13H,1-3,6-10,18H2,(H,19,20)
InChIKeyMYLKOMCQSODZEV-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.05
Rot. Bonds3

About 3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (PubChem CID 69430792) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
PubChem CID69430792
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESNC1CCCC(Oc2ccc3[nH]ncc3c2N2CCOCC2)C1
InChIInChI=1S/C17H24N4O2/c18-12-2-1-3-13(10-12)23-16-5-4-15-14(11-19-20-15)17(16)21-6-8-22-9-7-21/h4-5,11-13H,1-3,6-10,18H2,(H,19,20)
InChIKeyMYLKOMCQSODZEV-UHFFFAOYSA-N
XLogP2.05
TPSA76.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The IUPAC name of 3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (CID 69430792) is 3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for 3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is NC1CCCC(Oc2ccc3[nH]ncc3c2N2CCOCC2)C1.
What is the InChIKey of 3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The InChIKey is MYLKOMCQSODZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c18-12-2-1-3-13(10-12)23-16-5-4-15-14(11-19-20-15)17(16)21-6-8-22-9-7-21/h4-5,11-13H,1-3,6-10,18H2,(H,19,20).
What are the key properties of 3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine has a molecular weight of 316.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 69430792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).