7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid

C27H35N7O7Si — CID 177200019

IUPAC7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccn(COCC[Si](C)(C)C)n3)c2=O)nc2c(C(=O)O)onc12
InChIInChI=1S/C27H35N7O7Si/c1-27(2,3)40-26(38)32(4)18-15-19(29-22-21(18)31-41-23(22)25(36)37)28-17-9-8-11-34(24(17)35)20-10-12-33(30-20)16-39-13-14-42(5,6)7/h8-12,15H,13-14,16H2,1-7H3,(H,28,29)(H,36,37)
InChIKeySYJFYKXXYURVFG-UHFFFAOYSA-N
MW597.71 g/mol
LogP4.70
Rot. Bonds10

About 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid

7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid (PubChem CID 177200019) has the molecular formula C27H35N7O7Si and a molecular weight of 597.71 g/mol. Its IUPAC name is 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid
PubChem CID177200019
Molecular FormulaC27H35N7O7Si
Molecular Weight597.71 g/mol
Exact Mass597.24
IUPAC Name7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccn(COCC[Si](C)(C)C)n3)c2=O)nc2c(C(=O)O)onc12
InChIInChI=1S/C27H35N7O7Si/c1-27(2,3)40-26(38)32(4)18-15-19(29-22-21(18)31-41-23(22)25(36)37)28-17-9-8-11-34(24(17)35)20-10-12-33(30-20)16-39-13-14-42(5,6)7/h8-12,15H,13-14,16H2,1-7H3,(H,28,29)(H,36,37)
InChIKeySYJFYKXXYURVFG-UHFFFAOYSA-N
XLogP4.70
TPSA166.84 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.71
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid (CID 177200019) is 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid is CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccn(COCC[Si](C)(C)C)n3)c2=O)nc2c(C(=O)O)onc12.
What is the InChIKey of 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid?
The InChIKey is SYJFYKXXYURVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O7Si/c1-27(2,3)40-26(38)32(4)18-15-19(29-22-21(18)31-41-23(22)25(36)37)28-17-9-8-11-34(24(17)35)20-10-12-33(30-20)16-39-13-14-42(5,6)7/h8-12,15H,13-14,16H2,1-7H3,(H,28,29)(H,36,37).
What are the key properties of 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid?
7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid has a molecular weight of 597.71 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-oxo-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 177200019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).