4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one

C22H34F3N5O4Si — CID 140788328

IUPAC4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one
SMILESC[Si](C)(C)CCOCn1nc(C(F)(F)F)c2c1C(=O)N(C1CCN(N3CCOCC3=O)CC1)CC2
InChIInChI=1S/C22H34F3N5O4Si/c1-35(2,3)13-12-34-15-29-19-17(20(26-29)22(23,24)25)6-9-28(21(19)32)16-4-7-27(8-5-16)30-10-11-33-14-18(30)31/h16H,4-15H2,1-3H3
InChIKeyRHQCUKZJHHYBIX-UHFFFAOYSA-N
MW517.63 g/mol
LogP2.45
Rot. Bonds7

About 4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one

4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one (PubChem CID 140788328) has the molecular formula C22H34F3N5O4Si and a molecular weight of 517.63 g/mol. Its IUPAC name is 4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one
PubChem CID140788328
Molecular FormulaC22H34F3N5O4Si
Molecular Weight517.63 g/mol
Exact Mass517.23
IUPAC Name4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one
SMILESC[Si](C)(C)CCOCn1nc(C(F)(F)F)c2c1C(=O)N(C1CCN(N3CCOCC3=O)CC1)CC2
InChIInChI=1S/C22H34F3N5O4Si/c1-35(2,3)13-12-34-15-29-19-17(20(26-29)22(23,24)25)6-9-28(21(19)32)16-4-7-27(8-5-16)30-10-11-33-14-18(30)31/h16H,4-15H2,1-3H3
InChIKeyRHQCUKZJHHYBIX-UHFFFAOYSA-N
XLogP2.45
TPSA80.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
The IUPAC name of 4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one (CID 140788328) is 4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one.
What is the SMILES notation for 4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
The canonical SMILES for 4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one is C[Si](C)(C)CCOCn1nc(C(F)(F)F)c2c1C(=O)N(C1CCN(N3CCOCC3=O)CC1)CC2.
What is the InChIKey of 4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
The InChIKey is RHQCUKZJHHYBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34F3N5O4Si/c1-35(2,3)13-12-34-15-29-19-17(20(26-29)22(23,24)25)6-9-28(21(19)32)16-4-7-27(8-5-16)30-10-11-33-14-18(30)31/h16H,4-15H2,1-3H3.
What are the key properties of 4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one has a molecular weight of 517.63 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one is sourced from PubChem (CID 140788328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).