N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide

C30H37F2N5O4SSi — CID 175747267

About N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide

N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 175747267) has the molecular formula C30H37F2N5O4SSi and a molecular weight of 629.81 g/mol. Its IUPAC name is N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide
• PubChem CID: 175747267
• Molecular Formula: C30H37F2N5O4SSi
• Molecular Weight: 629.81 g/mol
• Exact Mass: 629.23
• IUPAC Name: N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide
• SMILES: COc1cccc(F)c1-c1cn2ncc(F)c2cc1C(=O)Nc1nnc(OCC2CCC(O[Si](C)(C)C(C)(C)C)CC2)s1
• InChI: InChI=1S/C30H37F2N5O4SSi/c1-30(2,3)43(5,6)41-19-12-10-18(11-13-19)17-40-29-36-35-28(42-29)34-27(38)20-14-24-23(32)15-33-37(24)16-21(20)26-22(31)8-7-9-25(26)39-4/h7-9,14-16,18-19H,10-13,17H2,1-6H3,(H,34,35,38)
• InChIKey: SKFMARJGKKCMJB-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 99.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.81
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

The IUPAC name of N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide (CID 175747267) is N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide.

What is the SMILES notation for N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

The canonical SMILES for N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide is COc1cccc(F)c1-c1cn2ncc(F)c2cc1C(=O)Nc1nnc(OCC2CCC(O[Si](C)(C)C(C)(C)C)CC2)s1.

What is the InChIKey of N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

The InChIKey is SKFMARJGKKCMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F2N5O4SSi/c1-30(2,3)43(5,6)41-19-12-10-18(11-13-19)17-40-29-36-35-28(42-29)34-27(38)20-14-24-23(32)15-33-37(24)16-21(20)26-22(31)8-7-9-25(26)39-4/h7-9,14-16,18-19H,10-13,17H2,1-6H3,(H,34,35,38).

What are the key properties of N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 629.81 g/mol, XLogP of 7.35, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 175747267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).