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

C25H22ClN11 — CID 154657788

IUPAC5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(2-pyridin-2-ylpropan-2-yl)triazol-4-yl]pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(-c3cn(C(C)(C)c4ccccn4)nn3)nc2-c2ccc3n[nH]c(Cl)c3c2)n1
InChIInChI=1S/C25H22ClN11/c1-25(2,19-6-4-5-10-28-19)37-13-18(32-35-37)22-24(27)30-21(17-9-11-36(3)34-17)20(29-22)14-7-8-16-15(12-14)23(26)33-31-16/h4-13H,1-3H3,(H2,27,30)(H,31,33)
InChIKeyGTAGHMWNRQBTPS-UHFFFAOYSA-N
MW511.98 g/mol
LogP4.09
Rot. Bonds5

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

5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(2-pyridin-2-ylpropan-2-yl)triazol-4-yl]pyrazin-2-amine (PubChem CID 154657788) has the molecular formula C25H22ClN11 and a molecular weight of 511.98 g/mol. Its IUPAC name is 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(2-pyridin-2-ylpropan-2-yl)triazol-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(2-pyridin-2-ylpropan-2-yl)triazol-4-yl]pyrazin-2-amine
PubChem CID154657788
Molecular FormulaC25H22ClN11
Molecular Weight511.98 g/mol
Exact Mass511.17
IUPAC Name5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(2-pyridin-2-ylpropan-2-yl)triazol-4-yl]pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(-c3cn(C(C)(C)c4ccccn4)nn3)nc2-c2ccc3n[nH]c(Cl)c3c2)n1
InChIInChI=1S/C25H22ClN11/c1-25(2,19-6-4-5-10-28-19)37-13-18(32-35-37)22-24(27)30-21(17-9-11-36(3)34-17)20(29-22)14-7-8-16-15(12-14)23(26)33-31-16/h4-13H,1-3H3,(H2,27,30)(H,31,33)
InChIKeyGTAGHMWNRQBTPS-UHFFFAOYSA-N
XLogP4.09
TPSA141.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.98
LogP ≤ 54.09
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-(2-pyridin-2-ylpropan-2-yl)triazol-4-yl]pyrazin-2-amine?
The IUPAC name of 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(2-pyridin-2-ylpropan-2-yl)triazol-4-yl]pyrazin-2-amine (CID 154657788) is 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(2-pyridin-2-ylpropan-2-yl)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-(2-pyridin-2-ylpropan-2-yl)triazol-4-yl]pyrazin-2-amine?
The canonical SMILES for 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(2-pyridin-2-ylpropan-2-yl)triazol-4-yl]pyrazin-2-amine is Cn1ccc(-c2nc(N)c(-c3cn(C(C)(C)c4ccccn4)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-(2-pyridin-2-ylpropan-2-yl)triazol-4-yl]pyrazin-2-amine?
The InChIKey is GTAGHMWNRQBTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN11/c1-25(2,19-6-4-5-10-28-19)37-13-18(32-35-37)22-24(27)30-21(17-9-11-36(3)34-17)20(29-22)14-7-8-16-15(12-14)23(26)33-31-16/h4-13H,1-3H3,(H2,27,30)(H,31,33).
What are the key properties of 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(2-pyridin-2-ylpropan-2-yl)triazol-4-yl]pyrazin-2-amine?
5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(2-pyridin-2-ylpropan-2-yl)triazol-4-yl]pyrazin-2-amine has a molecular weight of 511.98 g/mol, XLogP of 4.09, 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-(2-pyridin-2-ylpropan-2-yl)triazol-4-yl]pyrazin-2-amine is sourced from PubChem (CID 154657788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).