N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine

C23H24N6O — CID 56677286

IUPACN,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cn1
InChIInChI=1S/C23H24N6O/c1-29(2)12-5-13-30-22-8-7-18(15-26-22)21-14-17(9-11-25-21)19-16-27-28-23(19)20-6-3-4-10-24-20/h3-4,6-11,14-16H,5,12-13H2,1-2H3,(H,27,28)
InChIKeyQPFVXQGTWSDAJK-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.93
Rot. Bonds8

About N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine

N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine (PubChem CID 56677286) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine
PubChem CID56677286
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cn1
InChIInChI=1S/C23H24N6O/c1-29(2)12-5-13-30-22-8-7-18(15-26-22)21-14-17(9-11-25-21)19-16-27-28-23(19)20-6-3-4-10-24-20/h3-4,6-11,14-16H,5,12-13H2,1-2H3,(H,27,28)
InChIKeyQPFVXQGTWSDAJK-UHFFFAOYSA-N
XLogP3.93
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine (CID 56677286) is N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine is CN(C)CCCOc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cn1.
What is the InChIKey of N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is QPFVXQGTWSDAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-29(2)12-5-13-30-22-8-7-18(15-26-22)21-14-17(9-11-25-21)19-16-27-28-23(19)20-6-3-4-10-24-20/h3-4,6-11,14-16H,5,12-13H2,1-2H3,(H,27,28).
What are the key properties of N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine?
N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 400.49 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 56677286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).