N,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine

C23H23N5O — CID 11682470

IUPACN,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C23H23N5O/c1-28(2)13-14-29-19-8-6-17(7-9-19)22-15-18(10-12-25-22)20-16-26-27-23(20)21-5-3-4-11-24-21/h3-12,15-16H,13-14H2,1-2H3,(H,26,27)
InChIKeyVYTQMUCONGRNBX-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.14
Rot. Bonds7

About N,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine

N,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine (PubChem CID 11682470) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine
PubChem CID11682470
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C23H23N5O/c1-28(2)13-14-29-19-8-6-17(7-9-19)22-15-18(10-12-25-22)20-16-26-27-23(20)21-5-3-4-11-24-21/h3-12,15-16H,13-14H2,1-2H3,(H,26,27)
InChIKeyVYTQMUCONGRNBX-UHFFFAOYSA-N
XLogP4.14
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine (CID 11682470) is N,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine is CN(C)CCOc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine?
The InChIKey is VYTQMUCONGRNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-28(2)13-14-29-19-8-6-17(7-9-19)22-15-18(10-12-25-22)20-16-26-27-23(20)21-5-3-4-11-24-21/h3-12,15-16H,13-14H2,1-2H3,(H,26,27).
What are the key properties of N,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine?
N,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine has a molecular weight of 385.47 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethanamine is sourced from PubChem (CID 11682470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).