1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine

C20H19N3 — CID 141188188

IUPAC1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
SMILESc1ccc(CN2CCNc3ncc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C20H19N3/c1-3-7-16(8-4-1)15-23-12-11-21-20-19(23)13-18(14-22-20)17-9-5-2-6-10-17/h1-10,13-14H,11-12,15H2,(H,21,22)
InChIKeyCEQSHPJPWHOXBE-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.18
Rot. Bonds3

About 1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine

1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine (PubChem CID 141188188) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
PubChem CID141188188
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
SMILESc1ccc(CN2CCNc3ncc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C20H19N3/c1-3-7-16(8-4-1)15-23-12-11-21-20-19(23)13-18(14-22-20)17-9-5-2-6-10-17/h1-10,13-14H,11-12,15H2,(H,21,22)
InChIKeyCEQSHPJPWHOXBE-UHFFFAOYSA-N
XLogP4.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid;4-phenylbenzamide
CID 67092266
1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-N-(naphthalen-1-ylmethyl)methanamine
CID 143576078
[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 58327791
4-(1-benzyl-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl)benzamide
CID 24852570
4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(2,2-diphenylethyl)benzamide
CID 58327922
[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 58327864
4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 58327890
[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 58327946
3-(1-benzyl-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl)benzamide
CID 143576105
1-[(2-chloro-3,6-difluorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
CID 46906669
1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide
CID 67091684
[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 58327869

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
The IUPAC name of 1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine (CID 141188188) is 1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine.
What is the SMILES notation for 1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
The canonical SMILES for 1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine is c1ccc(CN2CCNc3ncc(-c4ccccc4)cc32)cc1.
What is the InChIKey of 1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
The InChIKey is CEQSHPJPWHOXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-3-7-16(8-4-1)15-23-12-11-21-20-19(23)13-18(14-22-20)17-9-5-2-6-10-17/h1-10,13-14H,11-12,15H2,(H,21,22).
What are the key properties of 1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?
1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine has a molecular weight of 301.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine is sourced from PubChem (CID 141188188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).