3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile

C22H13N5O2 — CID 154657301

IUPAC3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
SMILESCc1c(C#N)cccc1-c1nc2[nH]c(=O)ccc2nc1-c1ccc2ncoc2c1
InChIInChI=1S/C22H13N5O2/c1-12-14(10-23)3-2-4-15(12)21-20(13-5-6-16-18(9-13)29-11-24-16)25-17-7-8-19(28)26-22(17)27-21/h2-9,11H,1H3,(H,26,27,28)
InChIKeyJEWPLBAXVSTORQ-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.97
Rot. Bonds2

About 3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile

3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile (PubChem CID 154657301) has the molecular formula C22H13N5O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile.

Molecular Properties

Compound Name3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
PubChem CID154657301
Molecular FormulaC22H13N5O2
Molecular Weight379.38 g/mol
Exact Mass379.11
IUPAC Name3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
SMILESCc1c(C#N)cccc1-c1nc2[nH]c(=O)ccc2nc1-c1ccc2ncoc2c1
InChIInChI=1S/C22H13N5O2/c1-12-14(10-23)3-2-4-15(12)21-20(13-5-6-16-18(9-13)29-11-24-16)25-17-7-8-19(28)26-22(17)27-21/h2-9,11H,1H3,(H,26,27,28)
InChIKeyJEWPLBAXVSTORQ-UHFFFAOYSA-N
XLogP3.97
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile with MolForge

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Related Compounds

N-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide
CID 155006874
2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604994
2-[6-[2,3-bis(2-cyanophenyl)quinoxalin-6-yl]-3-(2-cyanophenyl)quinoxalin-2-yl]benzonitrile
CID 70667457
2-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzonitrile
CID 122656537
2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657543
3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile
CID 154656650
4-[1,3-benzoxazol-6-yl(methyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143543
6-(2-fluorophenyl)-1,3-benzoxazole
CID 150527958
4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
CID 116966108
3-[3-(1,3-benzothiazol-6-yl)-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154604929
3-[2-(7-chloro-2,3-dihydro-1,2-benzothiazol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
CID 154657423
3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
CID 154656600

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile?
The IUPAC name of 3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile (CID 154657301) is 3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile.
What is the SMILES notation for 3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile?
The canonical SMILES for 3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile is Cc1c(C#N)cccc1-c1nc2[nH]c(=O)ccc2nc1-c1ccc2ncoc2c1.
What is the InChIKey of 3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile?
The InChIKey is JEWPLBAXVSTORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N5O2/c1-12-14(10-23)3-2-4-15(12)21-20(13-5-6-16-18(9-13)29-11-24-16)25-17-7-8-19(28)26-22(17)27-21/h2-9,11H,1H3,(H,26,27,28).
What are the key properties of 3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile?
3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile has a molecular weight of 379.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile is sourced from PubChem (CID 154657301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).