5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine

C31H41F3N8OSSi — CID 90288496

IUPAC5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESC[Si](C)(C)CCOCN(c1ccc2ncc(-c3cnn(C4CCN(CC(F)(F)F)CC4)c3)cc2n1)c1nnc(C2CCCC2)s1
InChIInChI=1S/C31H41F3N8OSSi/c1-45(2,3)15-14-43-21-41(30-39-38-29(44-30)22-6-4-5-7-22)28-9-8-26-27(37-28)16-23(17-35-26)24-18-36-42(19-24)25-10-12-40(13-11-25)20-31(32,33)34/h8-9,16-19,22,25H,4-7,10-15,20-21H2,1-3H3
InChIKeyRBXXAPCINLHDGB-UHFFFAOYSA-N
MW658.87 g/mol
LogP7.65
Rot. Bonds11

About 5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine

5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 90288496) has the molecular formula C31H41F3N8OSSi and a molecular weight of 658.87 g/mol. Its IUPAC name is 5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID90288496
Molecular FormulaC31H41F3N8OSSi
Molecular Weight658.87 g/mol
Exact Mass658.28
IUPAC Name5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESC[Si](C)(C)CCOCN(c1ccc2ncc(-c3cnn(C4CCN(CC(F)(F)F)CC4)c3)cc2n1)c1nnc(C2CCCC2)s1
InChIInChI=1S/C31H41F3N8OSSi/c1-45(2,3)15-14-43-21-41(30-39-38-29(44-30)22-6-4-5-7-22)28-9-8-26-27(37-28)16-23(17-35-26)24-18-36-42(19-24)25-10-12-40(13-11-25)20-31(32,33)34/h8-9,16-19,22,25H,4-7,10-15,20-21H2,1-3H3
InChIKeyRBXXAPCINLHDGB-UHFFFAOYSA-N
XLogP7.65
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.87
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine (CID 90288496) is 5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine is C[Si](C)(C)CCOCN(c1ccc2ncc(-c3cnn(C4CCN(CC(F)(F)F)CC4)c3)cc2n1)c1nnc(C2CCCC2)s1.
What is the InChIKey of 5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is RBXXAPCINLHDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41F3N8OSSi/c1-45(2,3)15-14-43-21-41(30-39-38-29(44-30)22-6-4-5-7-22)28-9-8-26-27(37-28)16-23(17-35-26)24-18-36-42(19-24)25-10-12-40(13-11-25)20-31(32,33)34/h8-9,16-19,22,25H,4-7,10-15,20-21H2,1-3H3.
What are the key properties of 5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine?
5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 658.87 g/mol, XLogP of 7.65, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90288496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).