N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine

C22H26N4O — CID 18447422

IUPACN-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine
SMILESc1ccc(OCCN2C3CCC2CC(Nc2ccc4[nH]ncc4c2)C3)cc1
InChIInChI=1S/C22H26N4O/c1-2-4-21(5-3-1)27-11-10-26-19-7-8-20(26)14-18(13-19)24-17-6-9-22-16(12-17)15-23-25-22/h1-6,9,12,15,18-20,24H,7-8,10-11,13-14H2,(H,23,25)
InChIKeyQROCUYPBUUAOAU-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.05
Rot. Bonds6

About N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine

N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine (PubChem CID 18447422) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine
PubChem CID18447422
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine
SMILESc1ccc(OCCN2C3CCC2CC(Nc2ccc4[nH]ncc4c2)C3)cc1
InChIInChI=1S/C22H26N4O/c1-2-4-21(5-3-1)27-11-10-26-19-7-8-20(26)14-18(13-19)24-17-6-9-22-16(12-17)15-23-25-22/h1-6,9,12,15,18-20,24H,7-8,10-11,13-14H2,(H,23,25)
InChIKeyQROCUYPBUUAOAU-UHFFFAOYSA-N
XLogP4.05
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine (CID 18447422) is N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine is c1ccc(OCCN2C3CCC2CC(Nc2ccc4[nH]ncc4c2)C3)cc1.
What is the InChIKey of N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine?
The InChIKey is QROCUYPBUUAOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-2-4-21(5-3-1)27-11-10-26-19-7-8-20(26)14-18(13-19)24-17-6-9-22-16(12-17)15-23-25-22/h1-6,9,12,15,18-20,24H,7-8,10-11,13-14H2,(H,23,25).
What are the key properties of N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine?
N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine has a molecular weight of 362.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 18447422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).