6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline

C23H20N8 — CID 167367186

IUPAC6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(-c4nnn5c4CNCC5)cc3c2)n1
InChIInChI=1S/C23H20N8/c1-14-3-2-4-20(27-14)23-18(12-26-28-23)15-5-6-19-16(9-15)10-17(11-25-19)22-21-13-24-7-8-31(21)30-29-22/h2-6,9-12,24H,7-8,13H2,1H3,(H,26,28)
InChIKeySUJVWWBEULCLGN-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.36
Rot. Bonds3

About 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline

6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline (PubChem CID 167367186) has the molecular formula C23H20N8 and a molecular weight of 408.47 g/mol. Its IUPAC name is 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline.

Molecular Properties

Compound Name6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline
PubChem CID167367186
Molecular FormulaC23H20N8
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(-c4nnn5c4CNCC5)cc3c2)n1
InChIInChI=1S/C23H20N8/c1-14-3-2-4-20(27-14)23-18(12-26-28-23)15-5-6-19-16(9-15)10-17(11-25-19)22-21-13-24-7-8-31(21)30-29-22/h2-6,9-12,24H,7-8,13H2,1H3,(H,26,28)
InChIKeySUJVWWBEULCLGN-UHFFFAOYSA-N
XLogP3.36
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline?
The IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline (CID 167367186) is 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline.
What is the SMILES notation for 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline?
The canonical SMILES for 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline is Cc1cccc(-c2[nH]ncc2-c2ccc3ncc(-c4nnn5c4CNCC5)cc3c2)n1.
What is the InChIKey of 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline?
The InChIKey is SUJVWWBEULCLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8/c1-14-3-2-4-20(27-14)23-18(12-26-28-23)15-5-6-19-16(9-15)10-17(11-25-19)22-21-13-24-7-8-31(21)30-29-22/h2-6,9-12,24H,7-8,13H2,1H3,(H,26,28).
What are the key properties of 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline?
6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline has a molecular weight of 408.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline is sourced from PubChem (CID 167367186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).