7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid

C27H31N3O3 — CID 66665827

IUPAC7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid
SMILESCOC1CCN(CCCCCCC(=O)O)c2nc(-c3ccccc3)c(-c3ccccc3)nc21
InChIInChI=1S/C27H31N3O3/c1-33-22-17-19-30(18-11-3-2-10-16-23(31)32)27-26(22)28-24(20-12-6-4-7-13-20)25(29-27)21-14-8-5-9-15-21/h4-9,12-15,22H,2-3,10-11,16-19H2,1H3,(H,31,32)
InChIKeyYDRFGMGFIQJAQP-UHFFFAOYSA-N
MW445.56 g/mol
LogP5.74
Rot. Bonds10

About 7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid

7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid (PubChem CID 66665827) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid.

Molecular Properties

Compound Name7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid
PubChem CID66665827
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid
SMILESCOC1CCN(CCCCCCC(=O)O)c2nc(-c3ccccc3)c(-c3ccccc3)nc21
InChIInChI=1S/C27H31N3O3/c1-33-22-17-19-30(18-11-3-2-10-16-23(31)32)27-26(22)28-24(20-12-6-4-7-13-20)25(29-27)21-14-8-5-9-15-21/h4-9,12-15,22H,2-3,10-11,16-19H2,1H3,(H,31,32)
InChIKeyYDRFGMGFIQJAQP-UHFFFAOYSA-N
XLogP5.74
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid?
The IUPAC name of 7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid (CID 66665827) is 7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid.
What is the SMILES notation for 7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid?
The canonical SMILES for 7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid is COC1CCN(CCCCCCC(=O)O)c2nc(-c3ccccc3)c(-c3ccccc3)nc21.
What is the InChIKey of 7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid?
The InChIKey is YDRFGMGFIQJAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-33-22-17-19-30(18-11-3-2-10-16-23(31)32)27-26(22)28-24(20-12-6-4-7-13-20)25(29-27)21-14-8-5-9-15-21/h4-9,12-15,22H,2-3,10-11,16-19H2,1H3,(H,31,32).
What are the key properties of 7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid?
7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid has a molecular weight of 445.56 g/mol, XLogP of 5.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-methoxy-2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)heptanoic acid is sourced from PubChem (CID 66665827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).