(2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid

C26H25N3O3 — CID 129137951

IUPAC(2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid
SMILESCc1c(-c2ccccc2)cccc1-c1cc2nc(CN3CCCC[C@H]3C(=O)O)cnc2o1
InChIInChI=1S/C26H25N3O3/c1-17-20(18-8-3-2-4-9-18)10-7-11-21(17)24-14-22-25(32-24)27-15-19(28-22)16-29-13-6-5-12-23(29)26(30)31/h2-4,7-11,14-15,23H,5-6,12-13,16H2,1H3,(H,30,31)/t23-/m0/s1
InChIKeyAODHRRFQPQTWJR-QHCPKHFHSA-N
MW427.50 g/mol
LogP5.30
Rot. Bonds5

About (2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid

(2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid (PubChem CID 129137951) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is (2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid
PubChem CID129137951
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name(2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid
SMILESCc1c(-c2ccccc2)cccc1-c1cc2nc(CN3CCCC[C@H]3C(=O)O)cnc2o1
InChIInChI=1S/C26H25N3O3/c1-17-20(18-8-3-2-4-9-18)10-7-11-21(17)24-14-22-25(32-24)27-15-19(28-22)16-29-13-6-5-12-23(29)26(30)31/h2-4,7-11,14-15,23H,5-6,12-13,16H2,1H3,(H,30,31)/t23-/m0/s1
InChIKeyAODHRRFQPQTWJR-QHCPKHFHSA-N
XLogP5.30
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid (CID 129137951) is (2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid is Cc1c(-c2ccccc2)cccc1-c1cc2nc(CN3CCCC[C@H]3C(=O)O)cnc2o1.
What is the InChIKey of (2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid?
The InChIKey is AODHRRFQPQTWJR-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-17-20(18-8-3-2-4-9-18)10-7-11-21(17)24-14-22-25(32-24)27-15-19(28-22)16-29-13-6-5-12-23(29)26(30)31/h2-4,7-11,14-15,23H,5-6,12-13,16H2,1H3,(H,30,31)/t23-/m0/s1.
What are the key properties of (2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid?
(2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid has a molecular weight of 427.50 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[6-(2-methyl-3-phenylphenyl)furo[2,3-b]pyrazin-2-yl]methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 129137951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).