3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one

C20H14N6O — CID 154657357

IUPAC3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1ncc(-c2nc3[nH]ccc(=O)c3nc2-c2ccc3ncccc3c2)[nH]1
InChIInChI=1S/C20H14N6O/c1-11-23-10-15(24-11)18-17(25-19-16(27)6-8-22-20(19)26-18)13-4-5-14-12(9-13)3-2-7-21-14/h2-10H,1H3,(H,23,24)(H,22,26,27)
InChIKeyBGFDZBLKXSLOIL-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.23
Rot. Bonds2

About 3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one

3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154657357) has the molecular formula C20H14N6O and a molecular weight of 354.37 g/mol. Its IUPAC name is 3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154657357
Molecular FormulaC20H14N6O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC Name3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1ncc(-c2nc3[nH]ccc(=O)c3nc2-c2ccc3ncccc3c2)[nH]1
InChIInChI=1S/C20H14N6O/c1-11-23-10-15(24-11)18-17(25-19-16(27)6-8-22-20(19)26-18)13-4-5-14-12(9-13)3-2-7-21-14/h2-10H,1H3,(H,23,24)(H,22,26,27)
InChIKeyBGFDZBLKXSLOIL-UHFFFAOYSA-N
XLogP3.23
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one (CID 154657357) is 3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one is Cc1ncc(-c2nc3[nH]ccc(=O)c3nc2-c2ccc3ncccc3c2)[nH]1.
What is the InChIKey of 3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is BGFDZBLKXSLOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O/c1-11-23-10-15(24-11)18-17(25-19-16(27)6-8-22-20(19)26-18)13-4-5-14-12(9-13)3-2-7-21-14/h2-10H,1H3,(H,23,24)(H,22,26,27).
What are the key properties of 3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one?
3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 354.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154657357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).