(6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one

C27H26N4O2 — CID 122600551

IUPAC(6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one
SMILESCc1ccn2nc(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](Cc4ccccc4)C3)cc2c1
InChIInChI=1S/C27H26N4O2/c1-20-12-13-31-23(14-20)16-25(28-31)27(33)29-18-24(15-21-8-4-2-5-9-21)30(26(32)19-29)17-22-10-6-3-7-11-22/h2-14,16,24H,15,17-19H2,1H3/t24-/m0/s1
InChIKeyBBNGGVQBTJHSAC-DEOSSOPVSA-N
MW438.53 g/mol
LogP3.74
Rot. Bonds5

About (6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one

(6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one (PubChem CID 122600551) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is (6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one
PubChem CID122600551
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name(6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one
SMILESCc1ccn2nc(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](Cc4ccccc4)C3)cc2c1
InChIInChI=1S/C27H26N4O2/c1-20-12-13-31-23(14-20)16-25(28-31)27(33)29-18-24(15-21-8-4-2-5-9-21)30(26(32)19-29)17-22-10-6-3-7-11-22/h2-14,16,24H,15,17-19H2,1H3/t24-/m0/s1
InChIKeyBBNGGVQBTJHSAC-DEOSSOPVSA-N
XLogP3.74
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one?
The IUPAC name of (6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one (CID 122600551) is (6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one?
The canonical SMILES for (6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one is Cc1ccn2nc(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](Cc4ccccc4)C3)cc2c1.
What is the InChIKey of (6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one?
The InChIKey is BBNGGVQBTJHSAC-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-20-12-13-31-23(14-20)16-25(28-31)27(33)29-18-24(15-21-8-4-2-5-9-21)30(26(32)19-29)17-22-10-6-3-7-11-22/h2-14,16,24H,15,17-19H2,1H3/t24-/m0/s1.
What are the key properties of (6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one?
(6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one has a molecular weight of 438.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,6-dibenzyl-4-(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 122600551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).