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

C25H26N8 — CID 24871769

IUPAC3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
SMILESCc1[nH]nc2ccc(-c3cnc(N)c(N4CCN[C@@H](Cc5c[nH]c6ccccc56)C4)n3)cc12
InChIInChI=1S/C25H26N8/c1-15-20-11-16(6-7-22(20)32-31-15)23-13-29-24(26)25(30-23)33-9-8-27-18(14-33)10-17-12-28-21-5-3-2-4-19(17)21/h2-7,11-13,18,27-28H,8-10,14H2,1H3,(H2,26,29)(H,31,32)/t18-/m0/s1
InChIKeyCYJCUNQXOYAMOK-SFHVURJKSA-N
MW438.54 g/mol
LogP3.41
Rot. Bonds4

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

3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine (PubChem CID 24871769) has the molecular formula C25H26N8 and a molecular weight of 438.54 g/mol. Its IUPAC name is 3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
PubChem CID24871769
Molecular FormulaC25H26N8
Molecular Weight438.54 g/mol
Exact Mass438.23
IUPAC Name3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
SMILESCc1[nH]nc2ccc(-c3cnc(N)c(N4CCN[C@@H](Cc5c[nH]c6ccccc56)C4)n3)cc12
InChIInChI=1S/C25H26N8/c1-15-20-11-16(6-7-22(20)32-31-15)23-13-29-24(26)25(30-23)33-9-8-27-18(14-33)10-17-12-28-21-5-3-2-4-19(17)21/h2-7,11-13,18,27-28H,8-10,14H2,1H3,(H2,26,29)(H,31,32)/t18-/m0/s1
InChIKeyCYJCUNQXOYAMOK-SFHVURJKSA-N
XLogP3.41
TPSA111.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
The IUPAC name of 3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine (CID 24871769) is 3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for 3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
The canonical SMILES for 3-[(3S)-3-(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[C@@H](Cc5c[nH]c6ccccc56)C4)n3)cc12.
What is the InChIKey of 3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
The InChIKey is CYJCUNQXOYAMOK-SFHVURJKSA-N. The full InChI is InChI=1S/C25H26N8/c1-15-20-11-16(6-7-22(20)32-31-15)23-13-29-24(26)25(30-23)33-9-8-27-18(14-33)10-17-12-28-21-5-3-2-4-19(17)21/h2-7,11-13,18,27-28H,8-10,14H2,1H3,(H2,26,29)(H,31,32)/t18-/m0/s1.
What are the key properties of 3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
3-[(3S)-3-(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 3.41, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 24871769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).