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

C23H18ClN11 — CID 155003047

IUPAC5-(3-chloro-2H-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-c2ccc3n[nH]c(Cl)c3c2)n1
InChIInChI=1S/C23H18ClN11/c1-34-9-7-17(32-34)20-19(13-5-6-16-15(10-13)22(24)31-29-16)27-21(23(25)28-20)18-12-35(33-30-18)11-14-4-2-3-8-26-14/h2-10,12H,11H2,1H3,(H2,25,28)(H,29,31)
InChIKeyVDWOHONGERVQGK-UHFFFAOYSA-N
MW483.93 g/mol
LogP3.36
Rot. Bonds5

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

5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine (PubChem CID 155003047) has the molecular formula C23H18ClN11 and a molecular weight of 483.93 g/mol. Its IUPAC name is 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine
PubChem CID155003047
Molecular FormulaC23H18ClN11
Molecular Weight483.93 g/mol
Exact Mass483.14
IUPAC Name5-(3-chloro-2H-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-c2ccc3n[nH]c(Cl)c3c2)n1
InChIInChI=1S/C23H18ClN11/c1-34-9-7-17(32-34)20-19(13-5-6-16-15(10-13)22(24)31-29-16)27-21(23(25)28-20)18-12-35(33-30-18)11-14-4-2-3-8-26-14/h2-10,12H,11H2,1H3,(H2,25,28)(H,29,31)
InChIKeyVDWOHONGERVQGK-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-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine?
The IUPAC name of 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine (CID 155003047) is 5-(3-chloro-2H-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-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine?
The canonical SMILES for 5-(3-chloro-2H-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-c2ccc3n[nH]c(Cl)c3c2)n1.
What is the InChIKey of 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine?
The InChIKey is VDWOHONGERVQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN11/c1-34-9-7-17(32-34)20-19(13-5-6-16-15(10-13)22(24)31-29-16)27-21(23(25)28-20)18-12-35(33-30-18)11-14-4-2-3-8-26-14/h2-10,12H,11H2,1H3,(H2,25,28)(H,29,31).
What are the key properties of 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine?
5-(3-chloro-2H-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-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine is sourced from PubChem (CID 155003047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).