6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline

C25H18N6 — CID 155549016

IUPAC6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline
SMILESc1ccc(Cn2cc(-c3cn4c(-c5ccc6ncccc6c5)cnc4cn3)cn2)cc1
InChIInChI=1S/C25H18N6/c1-2-5-18(6-3-1)15-30-16-21(12-29-30)23-17-31-24(13-28-25(31)14-27-23)20-8-9-22-19(11-20)7-4-10-26-22/h1-14,16-17H,15H2
InChIKeyOTNFTKJUZBCLNU-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.86
Rot. Bonds4

About 6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline

6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline (PubChem CID 155549016) has the molecular formula C25H18N6 and a molecular weight of 402.46 g/mol. Its IUPAC name is 6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline.

Molecular Properties

Compound Name6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline
PubChem CID155549016
Molecular FormulaC25H18N6
Molecular Weight402.46 g/mol
Exact Mass402.16
IUPAC Name6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline
SMILESc1ccc(Cn2cc(-c3cn4c(-c5ccc6ncccc6c5)cnc4cn3)cn2)cc1
InChIInChI=1S/C25H18N6/c1-2-5-18(6-3-1)15-30-16-21(12-29-30)23-17-31-24(13-28-25(31)14-27-23)20-8-9-22-19(11-20)7-4-10-26-22/h1-14,16-17H,15H2
InChIKeyOTNFTKJUZBCLNU-UHFFFAOYSA-N
XLogP4.86
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline?
The IUPAC name of 6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline (CID 155549016) is 6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline.
What is the SMILES notation for 6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline?
The canonical SMILES for 6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline is c1ccc(Cn2cc(-c3cn4c(-c5ccc6ncccc6c5)cnc4cn3)cn2)cc1.
What is the InChIKey of 6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline?
The InChIKey is OTNFTKJUZBCLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6/c1-2-5-18(6-3-1)15-30-16-21(12-29-30)23-17-31-24(13-28-25(31)14-27-23)20-8-9-22-19(11-20)7-4-10-26-22/h1-14,16-17H,15H2.
What are the key properties of 6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline?
6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline has a molecular weight of 402.46 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline is sourced from PubChem (CID 155549016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).