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

C28H28N6O — CID 52945288

IUPACN,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine
SMILESCc1cn[nH]c1-c1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C28H28N6O/c1-19-18-30-33-25(19)20-4-6-21(7-5-20)26-27(22-12-14-29-15-13-22)32-28(31-26)23-8-10-24(11-9-23)35-17-16-34(2)3/h4-15,18H,16-17H2,1-3H3,(H,30,33)(H,31,32)
InChIKeyOZTCFCKRZZWTHY-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.44
Rot. Bonds8

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

N,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine (PubChem CID 52945288) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine
PubChem CID52945288
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC NameN,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine
SMILESCc1cn[nH]c1-c1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C28H28N6O/c1-19-18-30-33-25(19)20-4-6-21(7-5-20)26-27(22-12-14-29-15-13-22)32-28(31-26)23-8-10-24(11-9-23)35-17-16-34(2)3/h4-15,18H,16-17H2,1-3H3,(H,30,33)(H,31,32)
InChIKeyOZTCFCKRZZWTHY-UHFFFAOYSA-N
XLogP5.44
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 10294883
Pyrazole, 16
CID 11567059
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
Methyl substituted pyrazole, 28
CID 23648676
SB 590885
CID 135564599
5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime
CID 135398506
[2-(4-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-5-(pyridin-4-yl)-1H-imidazol-2-yl}phenoxy)ethyl]dimethylamine
CID 91369525
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-9-(1H-pyrazol-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 58204717
6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473640
(E)-SB-590885
CID 135421339
5-n-butyl-8-(4-n-propoxyphenyl)-3H-(1,2,4)triazolo(5,1-i)purine
CID 135444614

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine (CID 52945288) is N,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine is Cc1cn[nH]c1-c1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccncc2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine?
The InChIKey is OZTCFCKRZZWTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c1-19-18-30-33-25(19)20-4-6-21(7-5-20)26-27(22-12-14-29-15-13-22)32-28(31-26)23-8-10-24(11-9-23)35-17-16-34(2)3/h4-15,18H,16-17H2,1-3H3,(H,30,33)(H,31,32).
What are the key properties of N,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine?
N,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine has a molecular weight of 464.57 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine is sourced from PubChem (CID 52945288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).