N-[5-[[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide

C31H36FN5O4SSi — CID 170550742

About N-[5-[[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide

N-[5-[[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 170550742) has the molecular formula C31H36FN5O4SSi and a molecular weight of 621.81 g/mol. Its IUPAC name is N-[5-[[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide
• PubChem CID: 170550742
• Molecular Formula: C31H36FN5O4SSi
• Molecular Weight: 621.81 g/mol
• Exact Mass: 621.22
• IUPAC Name: N-[5-[[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide
• SMILES: COc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccc(C3(O[Si](C)(C)C(C)(C)C)CC3)cn2)s1
• InChI: InChI=1S/C31H36FN5O4SSi/c1-19-15-22(26-24(32)9-8-10-25(26)39-5)23(17-33-19)27(38)35-28-36-37-29(42-28)40-18-21-12-11-20(16-34-21)31(13-14-31)41-43(6,7)30(2,3)4/h8-12,15-17H,13-14,18H2,1-7H3,(H,35,36,38)
• InChIKey: DSSHSKXPLCIJBS-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 108.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.81
LogP ≤ 5	7.29
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-[[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide?

The IUPAC name of N-[5-[[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide (CID 170550742) is N-[5-[[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide.

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

The canonical SMILES for N-[5-[[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide is COc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccc(C3(O[Si](C)(C)C(C)(C)C)CC3)cn2)s1.

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

The InChIKey is DSSHSKXPLCIJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN5O4SSi/c1-19-15-22(26-24(32)9-8-10-25(26)39-5)23(17-33-19)27(38)35-28-36-37-29(42-28)40-18-21-12-11-20(16-34-21)31(13-14-31)41-43(6,7)30(2,3)4/h8-12,15-17H,13-14,18H2,1-7H3,(H,35,36,38).

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

N-[5-[[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 621.81 g/mol, XLogP of 7.29, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 170550742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).