3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine

C25H26N8 — CID 24872011

IUPAC3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
SMILESCc1[nH]nc2ccc(-c3cnc(N)c(N4CCN(Cc5c[nH]c6ccccc56)CC4)n3)cc12
InChIInChI=1S/C25H26N8/c1-16-20-12-17(6-7-22(20)31-30-16)23-14-28-24(26)25(29-23)33-10-8-32(9-11-33)15-18-13-27-21-5-3-2-4-19(18)21/h2-7,12-14,27H,8-11,15H2,1H3,(H2,26,28)(H,30,31)
InChIKeyOSDSSWSLYXXJIH-UHFFFAOYSA-N
MW438.54 g/mol
LogP3.71
Rot. Bonds4

About 3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine

3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine (PubChem CID 24872011) has the molecular formula C25H26N8 and a molecular weight of 438.54 g/mol. Its IUPAC name is 3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
PubChem CID24872011
Molecular FormulaC25H26N8
Molecular Weight438.54 g/mol
Exact Mass438.23
IUPAC Name3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
SMILESCc1[nH]nc2ccc(-c3cnc(N)c(N4CCN(Cc5c[nH]c6ccccc56)CC4)n3)cc12
InChIInChI=1S/C25H26N8/c1-16-20-12-17(6-7-22(20)31-30-16)23-14-28-24(26)25(29-23)33-10-8-32(9-11-33)15-18-13-27-21-5-3-2-4-19(18)21/h2-7,12-14,27H,8-11,15H2,1H3,(H2,26,28)(H,30,31)
InChIKeyOSDSSWSLYXXJIH-UHFFFAOYSA-N
XLogP3.71
TPSA102.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
The IUPAC name of 3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine (CID 24872011) is 3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for 3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
The canonical SMILES for 3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine is Cc1[nH]nc2ccc(-c3cnc(N)c(N4CCN(Cc5c[nH]c6ccccc56)CC4)n3)cc12.
What is the InChIKey of 3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
The InChIKey is OSDSSWSLYXXJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8/c1-16-20-12-17(6-7-22(20)31-30-16)23-14-28-24(26)25(29-23)33-10-8-32(9-11-33)15-18-13-27-21-5-3-2-4-19(18)21/h2-7,12-14,27H,8-11,15H2,1H3,(H2,26,28)(H,30,31).
What are the key properties of 3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine has a molecular weight of 438.54 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 24872011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).