tert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate

C28H39N9O4SSi — CID 123374229

IUPACtert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(Nc2cnc3ccc(N(COCC[Si](C)(C)C)c4nnc(N5CCOCC5)s4)nc3c2)cn1
InChIInChI=1S/C28H39N9O4SSi/c1-28(2,3)41-27(38)37-18-21(17-30-37)31-20-15-23-22(29-16-20)7-8-24(32-23)36(19-40-13-14-43(4,5)6)26-34-33-25(42-26)35-9-11-39-12-10-35/h7-8,15-18,31H,9-14,19H2,1-6H3
InChIKeyADKXNSCVOKNCFZ-UHFFFAOYSA-N
MW625.83 g/mol
LogP5.49
Rot. Bonds10

About tert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate

tert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate (PubChem CID 123374229) has the molecular formula C28H39N9O4SSi and a molecular weight of 625.83 g/mol. Its IUPAC name is tert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate
PubChem CID123374229
Molecular FormulaC28H39N9O4SSi
Molecular Weight625.83 g/mol
Exact Mass625.26
IUPAC Nametert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(Nc2cnc3ccc(N(COCC[Si](C)(C)C)c4nnc(N5CCOCC5)s4)nc3c2)cn1
InChIInChI=1S/C28H39N9O4SSi/c1-28(2,3)41-27(38)37-18-21(17-30-37)31-20-15-23-22(29-16-20)7-8-24(32-23)36(19-40-13-14-43(4,5)6)26-34-33-25(42-26)35-9-11-39-12-10-35/h7-8,15-18,31H,9-14,19H2,1-6H3
InChIKeyADKXNSCVOKNCFZ-UHFFFAOYSA-N
XLogP5.49
TPSA132.65 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500625.83
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

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'}

Analyze tert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-[3-methyl-6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 71254230
(R)-tert-butyl 1-(3-methyl-6-(5-(pyridin-3-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)pyrrolidin-3-ylcarbamate
CID 71254231
1,1-Dimethylethyl (2R)-2-({[7-(1-methyl-1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-yl]amino}methyl)-4-morpholinecarboxylate
CID 86706989
Tert-butyl 4-[3-[4-[6-(cyclopentylcarbamothioylamino)-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]piperazine-1-carboxylate
CID 89403093
1-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-[(3S)-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidin-3-yl]urea
CID 89403099
Tert-butyl 4-[2-[4-[6-(cyclopentylcarbamothioylamino)-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate
CID 89403125
2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine
CID 90287793
2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine
CID 90287795
2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridin-3-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine
CID 90287825
2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridin-2-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine
CID 90287827
2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyrimidin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine
CID 90287830
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine
CID 90287836

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate (CID 123374229) is tert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate is CC(C)(C)OC(=O)n1cc(Nc2cnc3ccc(N(COCC[Si](C)(C)C)c4nnc(N5CCOCC5)s4)nc3c2)cn1.
What is the InChIKey of tert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate?
The InChIKey is ADKXNSCVOKNCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N9O4SSi/c1-28(2,3)41-27(38)37-18-21(17-30-37)31-20-15-23-22(29-16-20)7-8-24(32-23)36(19-40-13-14-43(4,5)6)26-34-33-25(42-26)35-9-11-39-12-10-35/h7-8,15-18,31H,9-14,19H2,1-6H3.
What are the key properties of tert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate?
tert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate has a molecular weight of 625.83 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]amino]pyrazole-1-carboxylate is sourced from PubChem (CID 123374229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).