N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine

C23H25N3O — CID 10291967

IUPACN-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C23H25N3O/c1-3-25(4-2)17-19-14-15-22(27-19)23-20-12-8-9-13-21(20)26(24-23)16-18-10-6-5-7-11-18/h5-15H,3-4,16-17H2,1-2H3
InChIKeyKBIZJIPTQDLSTP-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.19
Rot. Bonds7

About N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine

N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine (PubChem CID 10291967) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine
PubChem CID10291967
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C23H25N3O/c1-3-25(4-2)17-19-14-15-22(27-19)23-20-12-8-9-13-21(20)26(24-23)16-18-10-6-5-7-11-18/h5-15H,3-4,16-17H2,1-2H3
InChIKeyKBIZJIPTQDLSTP-UHFFFAOYSA-N
XLogP5.19
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine (CID 10291967) is N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine is CCN(CC)Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine?
The InChIKey is KBIZJIPTQDLSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-25(4-2)17-19-14-15-22(27-19)23-20-12-8-9-13-21(20)26(24-23)16-18-10-6-5-7-11-18/h5-15H,3-4,16-17H2,1-2H3.
What are the key properties of N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine?
N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine has a molecular weight of 359.47 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 10291967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).