N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine

C17H21N3O — CID 62448827

IUPACN-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(Cn2ncc3ccccc32)cc1C
InChIInChI=1S/C17H21N3O/c1-3-8-18-11-17-13(2)9-15(21-17)12-20-16-7-5-4-6-14(16)10-19-20/h4-7,9-10,18H,3,8,11-12H2,1-2H3
InChIKeyDVLDOYIKQAXZQU-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.49
Rot. Bonds6

About N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine

N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine (PubChem CID 62448827) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine
PubChem CID62448827
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(Cn2ncc3ccccc32)cc1C
InChIInChI=1S/C17H21N3O/c1-3-8-18-11-17-13(2)9-15(21-17)12-20-16-7-5-4-6-14(16)10-19-20/h4-7,9-10,18H,3,8,11-12H2,1-2H3
InChIKeyDVLDOYIKQAXZQU-UHFFFAOYSA-N
XLogP3.49
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine (CID 62448827) is N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine is CCCNCc1oc(Cn2ncc3ccccc32)cc1C.
What is the InChIKey of N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine?
The InChIKey is DVLDOYIKQAXZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-8-18-11-17-13(2)9-15(21-17)12-20-16-7-5-4-6-14(16)10-19-20/h4-7,9-10,18H,3,8,11-12H2,1-2H3.
What are the key properties of N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine?
N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62448827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).