trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane

C25H35F3N8O2Si — CID 174050346

IUPACtrimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane
SMILESCc1[nH]nc(C(F)(F)F)c1-c1cc(N2CCOC[C@H]2C)nc2c1CNN2c1ccn(COCC[Si](C)(C)C)n1
InChIInChI=1S/C25H35F3N8O2Si/c1-16-14-37-9-8-35(16)21-12-18(22-17(2)31-32-23(22)25(26,27)28)19-13-29-36(24(19)30-21)20-6-7-34(33-20)15-38-10-11-39(3,4)5/h6-7,12,16,29H,8-11,13-15H2,1-5H3,(H,31,32)/t16-/m1/s1
InChIKeyIYPQCMZOWSALGW-MRXNPFEDSA-N
MW564.69 g/mol
LogP4.69
Rot. Bonds8

About trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane (PubChem CID 174050346) has the molecular formula C25H35F3N8O2Si and a molecular weight of 564.69 g/mol. Its IUPAC name is trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane
PubChem CID174050346
Molecular FormulaC25H35F3N8O2Si
Molecular Weight564.69 g/mol
Exact Mass564.26
IUPAC Nametrimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane
SMILESCc1[nH]nc(C(F)(F)F)c1-c1cc(N2CCOC[C@H]2C)nc2c1CNN2c1ccn(COCC[Si](C)(C)C)n1
InChIInChI=1S/C25H35F3N8O2Si/c1-16-14-37-9-8-35(16)21-12-18(22-17(2)31-32-23(22)25(26,27)28)19-13-29-36(24(19)30-21)20-6-7-34(33-20)15-38-10-11-39(3,4)5/h6-7,12,16,29H,8-11,13-15H2,1-5H3,(H,31,32)/t16-/m1/s1
InChIKeyIYPQCMZOWSALGW-MRXNPFEDSA-N
XLogP4.69
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.69
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane (CID 174050346) is trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane is Cc1[nH]nc(C(F)(F)F)c1-c1cc(N2CCOC[C@H]2C)nc2c1CNN2c1ccn(COCC[Si](C)(C)C)n1.
What is the InChIKey of trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane?
The InChIKey is IYPQCMZOWSALGW-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H35F3N8O2Si/c1-16-14-37-9-8-35(16)21-12-18(22-17(2)31-32-23(22)25(26,27)28)19-13-29-36(24(19)30-21)20-6-7-34(33-20)15-38-10-11-39(3,4)5/h6-7,12,16,29H,8-11,13-15H2,1-5H3,(H,31,32)/t16-/m1/s1.
What are the key properties of trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane has a molecular weight of 564.69 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydropyrazolo[3,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 174050346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).