(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

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

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
6-[2-[4-Phenyl-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid
CID 70688066
[2-(2,6-Dimethyl-phenoxy)-6-ethoxy-1-phenyl-1H-pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-yl-methanone
CID 56665121
[2-(2,6-Dimethylphenoxy)-6-hydroxy-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
CID 56668564
1-(6-Methoxy-3-pyridinyl)-3-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxoazetidine-2-carboxylic acid
CID 44453940
6-[2-[6-Propan-2-yloxy-5-(trifluoromethyl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid
CID 70683794
2-[3-Hydroxy-2-(pyrazine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid
CID 135953370
5-(2-methyl-2H-imidazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
CID 168275880
N,1-dimethyl-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)-1H-indole-3-carboxamide
CID 44251386
2-[2-[(2,6-Dimethylphenyl)methoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 137654885
US10927110, Example 28
CID 134397968
(NE)-N-[[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methylidene]hydroxylamine
CID 171471461

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).