(6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one

C26H24N4O2 — CID 122600545

IUPAC(6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one
SMILESO=C(c1ccc2[nH]ncc2c1)N1CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C26H24N4O2/c31-25-18-29(26(32)21-11-12-24-22(14-21)15-27-28-24)17-23(13-19-7-3-1-4-8-19)30(25)16-20-9-5-2-6-10-20/h1-12,14-15,23H,13,16-18H2,(H,27,28)/t23-/m0/s1
InChIKeyULLIHRHSMFNOFE-QHCPKHFHSA-N
MW424.50 g/mol
LogP3.66
Rot. Bonds5

About (6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one

(6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one (PubChem CID 122600545) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one
PubChem CID122600545
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name(6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one
SMILESO=C(c1ccc2[nH]ncc2c1)N1CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C26H24N4O2/c31-25-18-29(26(32)21-11-12-24-22(14-21)15-27-28-24)17-23(13-19-7-3-1-4-8-19)30(25)16-20-9-5-2-6-10-20/h1-12,14-15,23H,13,16-18H2,(H,27,28)/t23-/m0/s1
InChIKeyULLIHRHSMFNOFE-QHCPKHFHSA-N
XLogP3.66
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one?
The IUPAC name of (6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one (CID 122600545) is (6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for (6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for (6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one is O=C(c1ccc2[nH]ncc2c1)N1CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C1.
What is the InChIKey of (6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one?
The InChIKey is ULLIHRHSMFNOFE-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-25-18-29(26(32)21-11-12-24-22(14-21)15-27-28-24)17-23(13-19-7-3-1-4-8-19)30(25)16-20-9-5-2-6-10-20/h1-12,14-15,23H,13,16-18H2,(H,27,28)/t23-/m0/s1.
What are the key properties of (6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one?
(6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one has a molecular weight of 424.50 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,6-dibenzyl-4-(1H-indazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 122600545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).