5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine

C23H18ClN11 — CID 154658105

IUPAC5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(-c3cn(Cc4ccccn4)nn3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C23H18ClN11/c1-34-7-5-17(32-34)21-20(13-8-14-10-27-31-19(14)16(24)9-13)28-22(23(25)29-21)18-12-35(33-30-18)11-15-4-2-3-6-26-15/h2-10,12H,11H2,1H3,(H2,25,29)(H,27,31)
InChIKeyXWFZMLXYOQLROB-UHFFFAOYSA-N
MW483.93 g/mol
LogP3.36
Rot. Bonds5

About 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine

5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine (PubChem CID 154658105) has the molecular formula C23H18ClN11 and a molecular weight of 483.93 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine
PubChem CID154658105
Molecular FormulaC23H18ClN11
Molecular Weight483.93 g/mol
Exact Mass483.14
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(-c3cn(Cc4ccccn4)nn3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C23H18ClN11/c1-34-7-5-17(32-34)21-20(13-8-14-10-27-31-19(14)16(24)9-13)28-22(23(25)29-21)18-12-35(33-30-18)11-15-4-2-3-6-26-15/h2-10,12H,11H2,1H3,(H2,25,29)(H,27,31)
InChIKeyXWFZMLXYOQLROB-UHFFFAOYSA-N
XLogP3.36
TPSA141.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.93
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine (CID 154658105) is 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine is Cn1ccc(-c2nc(N)c(-c3cn(Cc4ccccn4)nn3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine?
The InChIKey is XWFZMLXYOQLROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN11/c1-34-7-5-17(32-34)21-20(13-8-14-10-27-31-19(14)16(24)9-13)28-22(23(25)29-21)18-12-35(33-30-18)11-15-4-2-3-6-26-15/h2-10,12H,11H2,1H3,(H2,25,29)(H,27,31).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine?
5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine has a molecular weight of 483.93 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine is sourced from PubChem (CID 154658105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).