5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C15H12ClN7 — CID 137423687

IUPAC5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C15H12ClN7/c1-23-3-2-11(22-23)15-14(18-7-12(17)20-15)8-4-9-6-19-21-13(9)10(16)5-8/h2-7H,1H3,(H2,17,20)(H,19,21)
InChIKeyCQVKACDCKIDJPQ-UHFFFAOYSA-N
MW325.76 g/mol
LogP2.66
Rot. Bonds2

About 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137423687) has the molecular formula C15H12ClN7 and a molecular weight of 325.76 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID137423687
Molecular FormulaC15H12ClN7
Molecular Weight325.76 g/mol
Exact Mass325.08
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C15H12ClN7/c1-23-3-2-11(22-23)15-14(18-7-12(17)20-15)8-4-9-6-19-21-13(9)10(16)5-8/h2-7H,1H3,(H2,17,20)(H,19,21)
InChIKeyCQVKACDCKIDJPQ-UHFFFAOYSA-N
XLogP2.66
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137423687) is 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3[nH]ncc3c2)n1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is CQVKACDCKIDJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN7/c1-23-3-2-11(22-23)15-14(18-7-12(17)20-15)8-4-9-6-19-21-13(9)10(16)5-8/h2-7H,1H3,(H2,17,20)(H,19,21).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 325.76 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137423687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).