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

C24H21N11 — CID 154658226

IUPAC5-(3-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine
SMILESCc1[nH]nc2ccc(-c3nc(-c4cn(Cc5ccccn5)nn4)c(N)nc3-c3ccn(C)n3)cc12
InChIInChI=1S/C24H21N11/c1-14-17-11-15(6-7-18(17)30-29-14)21-22(19-8-10-34(2)32-19)28-24(25)23(27-21)20-13-35(33-31-20)12-16-5-3-4-9-26-16/h3-11,13H,12H2,1-2H3,(H2,25,28)(H,29,30)
InChIKeyLDDZBFJVBWQMKO-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.01
Rot. Bonds5

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

5-(3-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine (PubChem CID 154658226) has the molecular formula C24H21N11 and a molecular weight of 463.51 g/mol. Its IUPAC name is 5-(3-methyl-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-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine
PubChem CID154658226
Molecular FormulaC24H21N11
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name5-(3-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine
SMILESCc1[nH]nc2ccc(-c3nc(-c4cn(Cc5ccccn5)nn4)c(N)nc3-c3ccn(C)n3)cc12
InChIInChI=1S/C24H21N11/c1-14-17-11-15(6-7-18(17)30-29-14)21-22(19-8-10-34(2)32-19)28-24(25)23(27-21)20-13-35(33-31-20)12-16-5-3-4-9-26-16/h3-11,13H,12H2,1-2H3,(H2,25,28)(H,29,30)
InChIKeyLDDZBFJVBWQMKO-UHFFFAOYSA-N
XLogP3.01
TPSA141.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-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-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine (CID 154658226) is 5-(3-methyl-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-methyl-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-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine is Cc1[nH]nc2ccc(-c3nc(-c4cn(Cc5ccccn5)nn4)c(N)nc3-c3ccn(C)n3)cc12.
What is the InChIKey of 5-(3-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine?
The InChIKey is LDDZBFJVBWQMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N11/c1-14-17-11-15(6-7-18(17)30-29-14)21-22(19-8-10-34(2)32-19)28-24(25)23(27-21)20-13-35(33-31-20)12-16-5-3-4-9-26-16/h3-11,13H,12H2,1-2H3,(H2,25,28)(H,29,30).
What are the key properties of 5-(3-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine?
5-(3-methyl-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 463.51 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-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 154658226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).