7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C30H36N6O4Si — CID 123968801

IUPAC7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESC[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CN4CCN5C(=O)OCC5C4)ccc3c2)nc1
InChIInChI=1S/C30H36N6O4Si/c1-41(2,3)15-14-38-21-36-28(10-11-32-36)23-5-9-29(31-17-23)40-26-7-8-27-22(16-26)4-6-24(33-27)18-34-12-13-35-25(19-34)20-39-30(35)37/h4-11,16-17,25H,12-15,18-21H2,1-3H3
InChIKeyLZUQETJPWXKPHF-UHFFFAOYSA-N
MW572.74 g/mol
LogP5.23
Rot. Bonds10

About 7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 123968801) has the molecular formula C30H36N6O4Si and a molecular weight of 572.74 g/mol. Its IUPAC name is 7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID123968801
Molecular FormulaC30H36N6O4Si
Molecular Weight572.74 g/mol
Exact Mass572.26
IUPAC Name7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESC[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CN4CCN5C(=O)OCC5C4)ccc3c2)nc1
InChIInChI=1S/C30H36N6O4Si/c1-41(2,3)15-14-38-21-36-28(10-11-32-36)23-5-9-29(31-17-23)40-26-7-8-27-22(16-26)4-6-24(33-27)18-34-12-13-35-25(19-34)20-39-30(35)37/h4-11,16-17,25H,12-15,18-21H2,1-3H3
InChIKeyLZUQETJPWXKPHF-UHFFFAOYSA-N
XLogP5.23
TPSA94.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.74
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

1-(4-Methyl-piperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinolin-7-yloxy]-ethanone
CID 10276818
LY2109761
CID 11655119
Dihydropyrrolopyrazole, 15c
CID 21992812
6-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 68578314
6-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 90668364
3-[2-(7-Methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one
CID 127031935
5-(6-Methoxyquinolin-4-yl)-3-[1-[(1-methylindol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 10412437
US9573957, Example 128
CID 117820536
US9573957, Example 118
CID 117820661
US9573957, Example 140
CID 117820767
Ethyl 2-(8-ethoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate
CID 15990596
US9573957, Example 142
CID 117820291

Frequently Asked Questions

What is the IUPAC name of 7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 123968801) is 7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CN4CCN5C(=O)OCC5C4)ccc3c2)nc1.
What is the InChIKey of 7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is LZUQETJPWXKPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O4Si/c1-41(2,3)15-14-38-21-36-28(10-11-32-36)23-5-9-29(31-17-23)40-26-7-8-27-22(16-26)4-6-24(33-27)18-34-12-13-35-25(19-34)20-39-30(35)37/h4-11,16-17,25H,12-15,18-21H2,1-3H3.
What are the key properties of 7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 572.74 g/mol, XLogP of 5.23, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 123968801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).