3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline

C23H20N6 — CID 167367234

IUPAC3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCCn1cc(-c2cnc3ccc(-c4nc[nH]c4-c4cccc(C)n4)cc3c2)cn1
InChIInChI=1S/C23H20N6/c1-3-29-13-19(12-27-29)18-10-17-9-16(7-8-20(17)24-11-18)22-23(26-14-25-22)21-6-4-5-15(2)28-21/h4-14H,3H2,1-2H3,(H,25,26)
InChIKeyFVWHXHOQNQHUKP-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.88
Rot. Bonds4

About 3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline

3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (PubChem CID 167367234) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
PubChem CID167367234
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCCn1cc(-c2cnc3ccc(-c4nc[nH]c4-c4cccc(C)n4)cc3c2)cn1
InChIInChI=1S/C23H20N6/c1-3-29-13-19(12-27-29)18-10-17-9-16(7-8-20(17)24-11-18)22-23(26-14-25-22)21-6-4-5-15(2)28-21/h4-14H,3H2,1-2H3,(H,25,26)
InChIKeyFVWHXHOQNQHUKP-UHFFFAOYSA-N
XLogP4.88
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (CID 167367234) is 3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is CCn1cc(-c2cnc3ccc(-c4nc[nH]c4-c4cccc(C)n4)cc3c2)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The InChIKey is FVWHXHOQNQHUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-3-29-13-19(12-27-29)18-10-17-9-16(7-8-20(17)24-11-18)22-23(26-14-25-22)21-6-4-5-15(2)28-21/h4-14H,3H2,1-2H3,(H,25,26).
What are the key properties of 3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 380.46 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 167367234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).