(4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine

C18H22N4O — CID 163916182

IUPAC(4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine
SMILESCNCCC[C@H](c1ccc2c(OC)n[nH]c2c1)c1ccccn1
InChIInChI=1S/C18H22N4O/c1-19-10-5-6-14(16-7-3-4-11-20-16)13-8-9-15-17(12-13)21-22-18(15)23-2/h3-4,7-9,11-12,14,19H,5-6,10H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyQWLFHJKWNBLWAY-CQSZACIVSA-N
MW310.40 g/mol
LogP3.10
Rot. Bonds7

About (4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine

(4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine (PubChem CID 163916182) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine.

Molecular Properties

Compound Name(4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine
PubChem CID163916182
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine
SMILESCNCCC[C@H](c1ccc2c(OC)n[nH]c2c1)c1ccccn1
InChIInChI=1S/C18H22N4O/c1-19-10-5-6-14(16-7-3-4-11-20-16)13-8-9-15-17(12-13)21-22-18(15)23-2/h3-4,7-9,11-12,14,19H,5-6,10H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyQWLFHJKWNBLWAY-CQSZACIVSA-N
XLogP3.10
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-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 (4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine?
The IUPAC name of (4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine (CID 163916182) is (4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine.
What is the SMILES notation for (4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine?
The canonical SMILES for (4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine is CNCCC[C@H](c1ccc2c(OC)n[nH]c2c1)c1ccccn1.
What is the InChIKey of (4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine?
The InChIKey is QWLFHJKWNBLWAY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O/c1-19-10-5-6-14(16-7-3-4-11-20-16)13-8-9-15-17(12-13)21-22-18(15)23-2/h3-4,7-9,11-12,14,19H,5-6,10H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine?
(4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine has a molecular weight of 310.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-methoxy-1H-indazol-6-yl)-N-methyl-4-pyridin-2-ylbutan-1-amine is sourced from PubChem (CID 163916182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).