6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one

C29H37N7O3Si — CID 162426646

IUPAC6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one
SMILESCc1cc(-c2c(C3CCNC3)c3c4cc(-c5cnn(C)c5)n(COCC[Si](C)(C)C)c4ncc3n(C)c2=O)on1
InChIInChI=1S/C29H37N7O3Si/c1-18-11-24(39-33-18)27-25(19-7-8-30-13-19)26-21-12-22(20-14-32-34(2)16-20)36(17-38-9-10-40(4,5)6)28(21)31-15-23(26)35(3)29(27)37/h11-12,14-16,19,30H,7-10,13,17H2,1-6H3
InChIKeyXXAUFRFNSCWJPU-UHFFFAOYSA-N
MW559.75 g/mol
LogP4.64
Rot. Bonds8

About 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one

6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one (PubChem CID 162426646) has the molecular formula C29H37N7O3Si and a molecular weight of 559.75 g/mol. Its IUPAC name is 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one.

Molecular Properties

Compound Name6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one
PubChem CID162426646
Molecular FormulaC29H37N7O3Si
Molecular Weight559.75 g/mol
Exact Mass559.27
IUPAC Name6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one
SMILESCc1cc(-c2c(C3CCNC3)c3c4cc(-c5cnn(C)c5)n(COCC[Si](C)(C)C)c4ncc3n(C)c2=O)on1
InChIInChI=1S/C29H37N7O3Si/c1-18-11-24(39-33-18)27-25(19-7-8-30-13-19)26-21-12-22(20-14-32-34(2)16-20)36(17-38-9-10-40(4,5)6)28(21)31-15-23(26)35(3)29(27)37/h11-12,14-16,19,30H,7-10,13,17H2,1-6H3
InChIKeyXXAUFRFNSCWJPU-UHFFFAOYSA-N
XLogP4.64
TPSA104.93 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.75
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one?
The IUPAC name of 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one (CID 162426646) is 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one.
What is the SMILES notation for 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one?
The canonical SMILES for 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one is Cc1cc(-c2c(C3CCNC3)c3c4cc(-c5cnn(C)c5)n(COCC[Si](C)(C)C)c4ncc3n(C)c2=O)on1.
What is the InChIKey of 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one?
The InChIKey is XXAUFRFNSCWJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O3Si/c1-18-11-24(39-33-18)27-25(19-7-8-30-13-19)26-21-12-22(20-14-32-34(2)16-20)36(17-38-9-10-40(4,5)6)28(21)31-15-23(26)35(3)29(27)37/h11-12,14-16,19,30H,7-10,13,17H2,1-6H3.
What are the key properties of 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one?
6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one has a molecular weight of 559.75 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one is sourced from PubChem (CID 162426646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).