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

C24H20ClN11 — CID 154657883

IUPAC5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(1-pyridin-2-ylethyl)triazol-4-yl]pyrazin-2-amine
SMILESCC(c1ccccn1)n1cc(-c2nc(-c3ccc4n[nH]c(Cl)c4c3)c(-c3ccn(C)n3)nc2N)nn1
InChIInChI=1S/C24H20ClN11/c1-13(16-5-3-4-9-27-16)36-12-19(31-34-36)22-24(26)29-21(18-8-10-35(2)33-18)20(28-22)14-6-7-17-15(11-14)23(25)32-30-17/h3-13H,1-2H3,(H2,26,29)(H,30,32)
InChIKeyLNLUZWWFKKLJCN-UHFFFAOYSA-N
MW497.95 g/mol
LogP3.92
Rot. Bonds5

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

5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(1-pyridin-2-ylethyl)triazol-4-yl]pyrazin-2-amine (PubChem CID 154657883) has the molecular formula C24H20ClN11 and a molecular weight of 497.95 g/mol. Its IUPAC name is 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(1-pyridin-2-ylethyl)triazol-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(1-pyridin-2-ylethyl)triazol-4-yl]pyrazin-2-amine
PubChem CID154657883
Molecular FormulaC24H20ClN11
Molecular Weight497.95 g/mol
Exact Mass497.16
IUPAC Name5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(1-pyridin-2-ylethyl)triazol-4-yl]pyrazin-2-amine
SMILESCC(c1ccccn1)n1cc(-c2nc(-c3ccc4n[nH]c(Cl)c4c3)c(-c3ccn(C)n3)nc2N)nn1
InChIInChI=1S/C24H20ClN11/c1-13(16-5-3-4-9-27-16)36-12-19(31-34-36)22-24(26)29-21(18-8-10-35(2)33-18)20(28-22)14-6-7-17-15(11-14)23(25)32-30-17/h3-13H,1-2H3,(H2,26,29)(H,30,32)
InChIKeyLNLUZWWFKKLJCN-UHFFFAOYSA-N
XLogP3.92
TPSA141.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.95
LogP ≤ 53.92
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-(1-pyridin-2-ylethyl)triazol-4-yl]pyrazin-2-amine?
The IUPAC name of 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(1-pyridin-2-ylethyl)triazol-4-yl]pyrazin-2-amine (CID 154657883) is 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(1-pyridin-2-ylethyl)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-(1-pyridin-2-ylethyl)triazol-4-yl]pyrazin-2-amine?
The canonical SMILES for 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(1-pyridin-2-ylethyl)triazol-4-yl]pyrazin-2-amine is CC(c1ccccn1)n1cc(-c2nc(-c3ccc4n[nH]c(Cl)c4c3)c(-c3ccn(C)n3)nc2N)nn1.
What is the InChIKey of 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(1-pyridin-2-ylethyl)triazol-4-yl]pyrazin-2-amine?
The InChIKey is LNLUZWWFKKLJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN11/c1-13(16-5-3-4-9-27-16)36-12-19(31-34-36)22-24(26)29-21(18-8-10-35(2)33-18)20(28-22)14-6-7-17-15(11-14)23(25)32-30-17/h3-13H,1-2H3,(H2,26,29)(H,30,32).
What are the key properties of 5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(1-pyridin-2-ylethyl)triazol-4-yl]pyrazin-2-amine?
5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(1-pyridin-2-ylethyl)triazol-4-yl]pyrazin-2-amine has a molecular weight of 497.95 g/mol, XLogP of 3.92, 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-(1-pyridin-2-ylethyl)triazol-4-yl]pyrazin-2-amine is sourced from PubChem (CID 154657883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).