4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine

C16H24ClF2N5OSi — CID 171630055

IUPAC4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine
SMILESCc1nn(COCC[Si](C)(C)C)c(-c2cc(Cl)nc(C(F)F)c2N)c1N
InChIInChI=1S/C16H24ClF2N5OSi/c1-9-12(20)15(24(23-9)8-25-5-6-26(2,3)4)10-7-11(17)22-14(13(10)21)16(18)19/h7,16H,5-6,8,20-21H2,1-4H3
InChIKeyQHNIMPAPUDJQAE-UHFFFAOYSA-N
MW403.94 g/mol
LogP4.32
Rot. Bonds7

About 4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine

4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine (PubChem CID 171630055) has the molecular formula C16H24ClF2N5OSi and a molecular weight of 403.94 g/mol. Its IUPAC name is 4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine
PubChem CID171630055
Molecular FormulaC16H24ClF2N5OSi
Molecular Weight403.94 g/mol
Exact Mass403.14
IUPAC Name4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine
SMILESCc1nn(COCC[Si](C)(C)C)c(-c2cc(Cl)nc(C(F)F)c2N)c1N
InChIInChI=1S/C16H24ClF2N5OSi/c1-9-12(20)15(24(23-9)8-25-5-6-26(2,3)4)10-7-11(17)22-14(13(10)21)16(18)19/h7,16H,5-6,8,20-21H2,1-4H3
InChIKeyQHNIMPAPUDJQAE-UHFFFAOYSA-N
XLogP4.32
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine?
The IUPAC name of 4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine (CID 171630055) is 4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine is Cc1nn(COCC[Si](C)(C)C)c(-c2cc(Cl)nc(C(F)F)c2N)c1N.
What is the InChIKey of 4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine?
The InChIKey is QHNIMPAPUDJQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClF2N5OSi/c1-9-12(20)15(24(23-9)8-25-5-6-26(2,3)4)10-7-11(17)22-14(13(10)21)16(18)19/h7,16H,5-6,8,20-21H2,1-4H3.
What are the key properties of 4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine?
4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine has a molecular weight of 403.94 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine is sourced from PubChem (CID 171630055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).