N-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine

C23H31N3O2 — CID 51357598

IUPACN-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCOc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccccc23)cc1
InChIInChI=1S/C23H31N3O2/c1-17(2)25(18(3)4)14-15-26-22-9-7-6-8-21(22)23(24-26)28-16-19-10-12-20(27-5)13-11-19/h6-13,17-18H,14-16H2,1-5H3
InChIKeyCTXLHWVBEFYFSI-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.74
Rot. Bonds9

About N-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 51357598) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID51357598
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCOc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccccc23)cc1
InChIInChI=1S/C23H31N3O2/c1-17(2)25(18(3)4)14-15-26-22-9-7-6-8-21(22)23(24-26)28-16-19-10-12-20(27-5)13-11-19/h6-13,17-18H,14-16H2,1-5H3
InChIKeyCTXLHWVBEFYFSI-UHFFFAOYSA-N
XLogP4.74
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine (CID 51357598) is N-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine is COc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccccc23)cc1.
What is the InChIKey of N-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is CTXLHWVBEFYFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-17(2)25(18(3)4)14-15-26-22-9-7-6-8-21(22)23(24-26)28-16-19-10-12-20(27-5)13-11-19/h6-13,17-18H,14-16H2,1-5H3.
What are the key properties of N-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 381.52 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-methoxyphenyl)methoxy]indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 51357598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).