2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol

C23H28N4O2 — CID 53246808

IUPAC2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol
SMILESOCCOc1cccc(CN2C3CCC2CC(Nc2ccc4[nH]ncc4c2)C3)c1
InChIInChI=1S/C23H28N4O2/c28-8-9-29-22-3-1-2-16(10-22)15-27-20-5-6-21(27)13-19(12-20)25-18-4-7-23-17(11-18)14-24-26-23/h1-4,7,10-11,14,19-21,25,28H,5-6,8-9,12-13,15H2,(H,24,26)
InChIKeyHWGXVQXOZZVGKP-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.54
Rot. Bonds7

About 2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol

2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol (PubChem CID 53246808) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol
PubChem CID53246808
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol
SMILESOCCOc1cccc(CN2C3CCC2CC(Nc2ccc4[nH]ncc4c2)C3)c1
InChIInChI=1S/C23H28N4O2/c28-8-9-29-22-3-1-2-16(10-22)15-27-20-5-6-21(27)13-19(12-20)25-18-4-7-23-17(11-18)14-24-26-23/h1-4,7,10-11,14,19-21,25,28H,5-6,8-9,12-13,15H2,(H,24,26)
InChIKeyHWGXVQXOZZVGKP-UHFFFAOYSA-N
XLogP3.54
TPSA73.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol with MolForge

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Related Compounds

N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine
CID 18447422
2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25009893
benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate
CID 103393058
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-1H-indazol-5-amine
CID 21098476
(1S,6R)-9-[[3-(2-hydroxyethoxy)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 50953360
4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11384244
N-[(3R)-1-[(3-ethynylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599558
2-[5-[[6-(1H-indazol-5-ylamino)-2-azabicyclo[2.2.2]octan-2-yl]methyl]-2-methylphenoxy]ethanol
CID 53247553
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 57446055
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-5-amine
CID 14467953
N-[1-[[3-(methylsulfanylamino)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 143703811

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol (CID 53246808) is 2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol is OCCOc1cccc(CN2C3CCC2CC(Nc2ccc4[nH]ncc4c2)C3)c1.
What is the InChIKey of 2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol?
The InChIKey is HWGXVQXOZZVGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-8-9-29-22-3-1-2-16(10-22)15-27-20-5-6-21(27)13-19(12-20)25-18-4-7-23-17(11-18)14-24-26-23/h1-4,7,10-11,14,19-21,25,28H,5-6,8-9,12-13,15H2,(H,24,26).
What are the key properties of 2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol?
2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol has a molecular weight of 392.50 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(1H-indazol-5-ylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 53246808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).