N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine

C25H28N8OSi — CID 68814017

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C#C[Si](C)(C)C)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1
InChIInChI=1S/C25H28N8OSi/c1-17-14-24(31-30-17)28-23-15-18(10-13-35(2,3)4)27-25(29-23)33-12-7-9-21(33)22-16-20(32-34-22)19-8-5-6-11-26-19/h5-6,8,11,14-16,21H,7,9,12H2,1-4H3,(H2,27,28,29,30,31)
InChIKeyCVPMFKDFIUIIBD-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.87
Rot. Bonds5

About N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine (PubChem CID 68814017) has the molecular formula C25H28N8OSi and a molecular weight of 484.64 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine
PubChem CID68814017
Molecular FormulaC25H28N8OSi
Molecular Weight484.64 g/mol
Exact Mass484.22
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C#C[Si](C)(C)C)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1
InChIInChI=1S/C25H28N8OSi/c1-17-14-24(31-30-17)28-23-15-18(10-13-35(2,3)4)27-25(29-23)33-12-7-9-21(33)22-16-20(32-34-22)19-8-5-6-11-26-19/h5-6,8,11,14-16,21H,7,9,12H2,1-4H3,(H2,27,28,29,30,31)
InChIKeyCVPMFKDFIUIIBD-UHFFFAOYSA-N
XLogP4.87
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine (CID 68814017) is N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine is Cc1cc(Nc2cc(C#C[Si](C)(C)C)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine?
The InChIKey is CVPMFKDFIUIIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8OSi/c1-17-14-24(31-30-17)28-23-15-18(10-13-35(2,3)4)27-25(29-23)33-12-7-9-21(33)22-16-20(32-34-22)19-8-5-6-11-26-19/h5-6,8,11,14-16,21H,7,9,12H2,1-4H3,(H2,27,28,29,30,31).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine has a molecular weight of 484.64 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine is sourced from PubChem (CID 68814017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).