3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one

C25H16N6OS — CID 154657489

IUPAC3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(-c4cncnc4)cc3nc2-c2ccc3ncccc3c2)s1
InChIInChI=1S/C25H16N6OS/c1-14-4-7-21(33-14)23-22(16-5-6-19-15(9-16)3-2-8-28-19)29-20-10-18(17-11-26-13-27-12-17)25(32)31-24(20)30-23/h2-13H,1H3,(H,30,31,32)
InChIKeyCLQDLPSEXXXAQG-UHFFFAOYSA-N
MW448.51 g/mol
LogP5.03
Rot. Bonds3

About 3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one

3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 154657489) has the molecular formula C25H16N6OS and a molecular weight of 448.51 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID154657489
Molecular FormulaC25H16N6OS
Molecular Weight448.51 g/mol
Exact Mass448.11
IUPAC Name3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(-c4cncnc4)cc3nc2-c2ccc3ncccc3c2)s1
InChIInChI=1S/C25H16N6OS/c1-14-4-7-21(33-14)23-22(16-5-6-19-15(9-16)3-2-8-28-19)29-20-10-18(17-11-26-13-27-12-17)25(32)31-24(20)30-23/h2-13H,1H3,(H,30,31,32)
InChIKeyCLQDLPSEXXXAQG-UHFFFAOYSA-N
XLogP5.03
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-methylthiophen-2-yl)-7-(2-oxo-1-pyridinyl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656404
7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438840
6-methyl-3-(5-methylthiophen-2-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656740
7-(6-oxo-1H-pyridin-2-yl)-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656825
7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438139
7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657593
7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide
CID 137438841
3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438827
N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide
CID 137438794
7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 153147691
3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438814
3-(5-methylfuran-2-yl)-7-pyridin-3-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657332

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one (CID 154657489) is 3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one is Cc1ccc(-c2nc3[nH]c(=O)c(-c4cncnc4)cc3nc2-c2ccc3ncccc3c2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is CLQDLPSEXXXAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6OS/c1-14-4-7-21(33-14)23-22(16-5-6-19-15(9-16)3-2-8-28-19)29-20-10-18(17-11-26-13-27-12-17)25(32)31-24(20)30-23/h2-13H,1H3,(H,30,31,32).
What are the key properties of 3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one?
3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 448.51 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154657489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).