[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone

C24H23N5OS — CID 133389485

IUPAC[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(c2cncc(SCc3ccccc3)n2)CC1
InChIInChI=1S/C24H23N5OS/c30-24(21-14-19-8-4-5-9-20(19)26-21)29-12-10-28(11-13-29)22-15-25-16-23(27-22)31-17-18-6-2-1-3-7-18/h1-9,14-16,26H,10-13,17H2
InChIKeyHBACXXRMWOCQQP-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.21
Rot. Bonds5

About [4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone

[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 133389485) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is [4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID133389485
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(c2cncc(SCc3ccccc3)n2)CC1
InChIInChI=1S/C24H23N5OS/c30-24(21-14-19-8-4-5-9-20(19)26-21)29-12-10-28(11-13-29)22-15-25-16-23(27-22)31-17-18-6-2-1-3-7-18/h1-9,14-16,26H,10-13,17H2
InChIKeyHBACXXRMWOCQQP-UHFFFAOYSA-N
XLogP4.21
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133413581
1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060454
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]benzonitrile
CID 133389483
2-benzylsulfanyl-6-(4-methoxypiperidin-1-yl)pyrazine
CID 133413751
1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484
4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137251142
1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone
CID 155951108
1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 154835068
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxo-N-(2-phenylethyl)acetamide
CID 29134828
1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060220

Frequently Asked Questions

What is the IUPAC name of [4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone (CID 133389485) is [4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(c2cncc(SCc3ccccc3)n2)CC1.
What is the InChIKey of [4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is HBACXXRMWOCQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c30-24(21-14-19-8-4-5-9-20(19)26-21)29-12-10-28(11-13-29)22-15-25-16-23(27-22)31-17-18-6-2-1-3-7-18/h1-9,14-16,26H,10-13,17H2.
What are the key properties of [4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 429.55 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 133389485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).