4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline

C19H19N5 — CID 56861407

IUPAC4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline
SMILESCc1n[nH]c(C)c1CCn1ccnc1-c1ccnc2ccccc12
InChIInChI=1S/C19H19N5/c1-13-15(14(2)23-22-13)8-11-24-12-10-21-19(24)17-7-9-20-18-6-4-3-5-16(17)18/h3-7,9-10,12H,8,11H2,1-2H3,(H,22,23)
InChIKeyKMAXFJOGTBKCFD-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.68
Rot. Bonds4

About 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline

4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline (PubChem CID 56861407) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline.

Molecular Properties

Compound Name4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline
PubChem CID56861407
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline
SMILESCc1n[nH]c(C)c1CCn1ccnc1-c1ccnc2ccccc12
InChIInChI=1S/C19H19N5/c1-13-15(14(2)23-22-13)8-11-24-12-10-21-19(24)17-7-9-20-18-6-4-3-5-16(17)18/h3-7,9-10,12H,8,11H2,1-2H3,(H,22,23)
InChIKeyKMAXFJOGTBKCFD-UHFFFAOYSA-N
XLogP3.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Elimusertib
CID 118869362
Ag-24322
CID 135413565
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
CID 44517648
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
Vlx-600
CID 6410104
Bms-986299
CID 137498152
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
CID 138105936
CID 138105936
1H-Purin-6-amine, N-(2-(1H-indol-3-yl)ethyl)-
CID 165348
N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 10040667
2-Phenylimidazo[4,5-c]quinoline
CID 10824264

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline?
The IUPAC name of 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline (CID 56861407) is 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline.
What is the SMILES notation for 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline?
The canonical SMILES for 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline is Cc1n[nH]c(C)c1CCn1ccnc1-c1ccnc2ccccc12.
What is the InChIKey of 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline?
The InChIKey is KMAXFJOGTBKCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-13-15(14(2)23-22-13)8-11-24-12-10-21-19(24)17-7-9-20-18-6-4-3-5-16(17)18/h3-7,9-10,12H,8,11H2,1-2H3,(H,22,23).
What are the key properties of 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline?
4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline has a molecular weight of 317.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline is sourced from PubChem (CID 56861407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).