tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate

C30H39N7O4Si — CID 162441562

IUPACtert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
SMILESCc1cccc(-c2cc(Nc3ccnc4c3ncn4COCC[Si](C)(C)C)c3c(n2)N(C(=O)OC(C)(C)C)CCO3)n1
InChIInChI=1S/C30H39N7O4Si/c1-20-9-8-10-21(33-20)23-17-24(26-28(35-23)37(13-14-40-26)29(38)41-30(2,3)4)34-22-11-12-31-27-25(22)32-18-36(27)19-39-15-16-42(5,6)7/h8-12,17-18H,13-16,19H2,1-7H3,(H,31,34,35)
InChIKeySPYPRCOPIGVZQP-UHFFFAOYSA-N
MW589.77 g/mol
LogP6.39
Rot. Bonds8

About tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate

tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate (PubChem CID 162441562) has the molecular formula C30H39N7O4Si and a molecular weight of 589.77 g/mol. Its IUPAC name is tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
PubChem CID162441562
Molecular FormulaC30H39N7O4Si
Molecular Weight589.77 g/mol
Exact Mass589.28
IUPAC Nametert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
SMILESCc1cccc(-c2cc(Nc3ccnc4c3ncn4COCC[Si](C)(C)C)c3c(n2)N(C(=O)OC(C)(C)C)CCO3)n1
InChIInChI=1S/C30H39N7O4Si/c1-20-9-8-10-21(33-20)23-17-24(26-28(35-23)37(13-14-40-26)29(38)41-30(2,3)4)34-22-11-12-31-27-25(22)32-18-36(27)19-39-15-16-42(5,6)7/h8-12,17-18H,13-16,19H2,1-7H3,(H,31,34,35)
InChIKeySPYPRCOPIGVZQP-UHFFFAOYSA-N
XLogP6.39
TPSA116.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.77
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-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

CID 175896370
CID 175896370
tert-butyl 3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]azetidine-1-carboxylate
CID 156708178
tert-butyl (3S,5R)-3-methyl-5-[[3-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate
CID 177243076
tert-butyl 3-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamoylamino]azepane-1-carboxylate
CID 67385442
tert-butyl 2,4-dichloro-6,7-dihydropyrimido[5,4-b][1,4]oxazine-8-carboxylate
CID 142478107
tert-butyl 4-methyl-5-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamoylamino]azepane-1-carboxylate
CID 67386251
tert-butyl 8-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylphenoxy]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
CID 155586217
tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate
CID 152533189
tert-butyl 3-[[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamoylamino]methyl]piperidine-1-carboxylate
CID 67385024
2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid
CID 154665027
tert-butyl 4-[2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]ethyl]piperidine-1-carboxylate
CID 153397556
tert-butyl 2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67201133

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate (CID 162441562) is tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate is Cc1cccc(-c2cc(Nc3ccnc4c3ncn4COCC[Si](C)(C)C)c3c(n2)N(C(=O)OC(C)(C)C)CCO3)n1.
What is the InChIKey of tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
The InChIKey is SPYPRCOPIGVZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O4Si/c1-20-9-8-10-21(33-20)23-17-24(26-28(35-23)37(13-14-40-26)29(38)41-30(2,3)4)34-22-11-12-31-27-25(22)32-18-36(27)19-39-15-16-42(5,6)7/h8-12,17-18H,13-16,19H2,1-7H3,(H,31,34,35).
What are the key properties of tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate has a molecular weight of 589.77 g/mol, XLogP of 6.39, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate is sourced from PubChem (CID 162441562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).