5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine

C27H19ClN6 — CID 137431214

IUPAC5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(-c3ccc4ccccc4c3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C27H19ClN6/c1-34-12-10-22(33-34)26-24(20-14-18-7-4-11-30-23(18)21(28)15-20)31-25(27(29)32-26)19-9-8-16-5-2-3-6-17(16)13-19/h2-15H,1H3,(H2,29,32)
InChIKeyXJTPEPGNTFOYKQ-UHFFFAOYSA-N
MW462.94 g/mol
LogP6.15
Rot. Bonds3

About 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine (PubChem CID 137431214) has the molecular formula C27H19ClN6 and a molecular weight of 462.94 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine
PubChem CID137431214
Molecular FormulaC27H19ClN6
Molecular Weight462.94 g/mol
Exact Mass462.14
IUPAC Name5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(-c3ccc4ccccc4c3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C27H19ClN6/c1-34-12-10-22(33-34)26-24(20-14-18-7-4-11-30-23(18)21(28)15-20)31-25(27(29)32-26)19-9-8-16-5-2-3-6-17(16)13-19/h2-15H,1H3,(H2,29,32)
InChIKeyXJTPEPGNTFOYKQ-UHFFFAOYSA-N
XLogP6.15
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.94
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine (CID 137431214) is 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine is Cn1ccc(-c2nc(N)c(-c3ccc4ccccc4c3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine?
The InChIKey is XJTPEPGNTFOYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN6/c1-34-12-10-22(33-34)26-24(20-14-18-7-4-11-30-23(18)21(28)15-20)31-25(27(29)32-26)19-9-8-16-5-2-3-6-17(16)13-19/h2-15H,1H3,(H2,29,32).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine has a molecular weight of 462.94 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine is sourced from PubChem (CID 137431214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).