1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine

C20H33FN4O2Si — CID 168935693

IUPAC1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine
SMILESCOc1ncc(F)cc1C(CO[Si](C(C)C)(C(C)C)C(C)C)n1cc(N)cn1
InChIInChI=1S/C20H33FN4O2Si/c1-13(2)28(14(3)4,15(5)6)27-12-19(25-11-17(22)10-24-25)18-8-16(21)9-23-20(18)26-7/h8-11,13-15,19H,12,22H2,1-7H3
InChIKeyFKUOJIXRXDRVQI-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.79
Rot. Bonds9

About 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine

1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine (PubChem CID 168935693) has the molecular formula C20H33FN4O2Si and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine
PubChem CID168935693
Molecular FormulaC20H33FN4O2Si
Molecular Weight408.59 g/mol
Exact Mass408.24
IUPAC Name1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine
SMILESCOc1ncc(F)cc1C(CO[Si](C(C)C)(C(C)C)C(C)C)n1cc(N)cn1
InChIInChI=1S/C20H33FN4O2Si/c1-13(2)28(14(3)4,15(5)6)27-12-19(25-11-17(22)10-24-25)18-8-16(21)9-23-20(18)26-7/h8-11,13-15,19H,12,22H2,1-7H3
InChIKeyFKUOJIXRXDRVQI-UHFFFAOYSA-N
XLogP4.79
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine?
The IUPAC name of 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine (CID 168935693) is 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine?
The canonical SMILES for 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine is COc1ncc(F)cc1C(CO[Si](C(C)C)(C(C)C)C(C)C)n1cc(N)cn1.
What is the InChIKey of 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine?
The InChIKey is FKUOJIXRXDRVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FN4O2Si/c1-13(2)28(14(3)4,15(5)6)27-12-19(25-11-17(22)10-24-25)18-8-16(21)9-23-20(18)26-7/h8-11,13-15,19H,12,22H2,1-7H3.
What are the key properties of 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine?
1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine has a molecular weight of 408.59 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-amine is sourced from PubChem (CID 168935693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).