(7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one

C23H36N6O3Si — CID 58405715

IUPAC(7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(CC(=O)c3ccnn3COCC[Si](C)(C)C)nc2N1C(C)C
InChIInChI=1S/C23H36N6O3Si/c1-8-17-23(31)27(4)19-14-24-21(26-22(19)29(17)16(2)3)13-20(30)18-9-10-25-28(18)15-32-11-12-33(5,6)7/h9-10,14,16-17H,8,11-13,15H2,1-7H3/t17-/m1/s1
InChIKeyCMIZRWJAXGSQOX-QGZVFWFLSA-N
MW472.67 g/mol
LogP3.38
Rot. Bonds10

About (7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one

(7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one (PubChem CID 58405715) has the molecular formula C23H36N6O3Si and a molecular weight of 472.67 g/mol. Its IUPAC name is (7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one
PubChem CID58405715
Molecular FormulaC23H36N6O3Si
Molecular Weight472.67 g/mol
Exact Mass472.26
IUPAC Name(7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(CC(=O)c3ccnn3COCC[Si](C)(C)C)nc2N1C(C)C
InChIInChI=1S/C23H36N6O3Si/c1-8-17-23(31)27(4)19-14-24-21(26-22(19)29(17)16(2)3)13-20(30)18-9-10-25-28(18)15-32-11-12-33(5,6)7/h9-10,14,16-17H,8,11-13,15H2,1-7H3/t17-/m1/s1
InChIKeyCMIZRWJAXGSQOX-QGZVFWFLSA-N
XLogP3.38
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.67
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one with MolForge

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Related Compounds

7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one
CID 67253848
[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid
CID 70922068
(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one
CID 58405692
(7R)-7-ethyl-5-methyl-2-(2-phenyl-4,5-dihydroimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one
CID 58405577
2-(1,3-diimino-1-phenylpropan-2-yl)-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 123696799
5-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carbonitrile
CID 67252236
2-[(5-ethoxypyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141382450
8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
CID 76777977
(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one;2-(3-chlorophenyl)-1H-imidazole;(7R)-2-[2-(3-chlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 158722688
(1R)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridin-7-yl]ethanamine
CID 178027402
(7S)-7,8-diethyl-5-methyl-2-[2-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]ethyl]-7H-pteridin-6-one
CID 159294376
3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
CID 172806040

Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one?
The IUPAC name of (7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one (CID 58405715) is (7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one?
The canonical SMILES for (7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(CC(=O)c3ccnn3COCC[Si](C)(C)C)nc2N1C(C)C.
What is the InChIKey of (7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one?
The InChIKey is CMIZRWJAXGSQOX-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H36N6O3Si/c1-8-17-23(31)27(4)19-14-24-21(26-22(19)29(17)16(2)3)13-20(30)18-9-10-25-28(18)15-32-11-12-33(5,6)7/h9-10,14,16-17H,8,11-13,15H2,1-7H3/t17-/m1/s1.
What are the key properties of (7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one?
(7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one has a molecular weight of 472.67 g/mol, XLogP of 3.38, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one is sourced from PubChem (CID 58405715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).