6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide

C25H26FN5O4S — CID 175747250

About 6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide

6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 175747250) has the molecular formula C25H26FN5O4S and a molecular weight of 511.58 g/mol. Its IUPAC name is 6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide
• PubChem CID: 175747250
• Molecular Formula: C25H26FN5O4S
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.17
• IUPAC Name: 6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide
• SMILES: COc1cccc(F)c1-c1cn2ncc(C)c2cc1C(=O)Nc1nnc(OCC2CCC(O)CC2)s1
• InChI: InChI=1S/C25H26FN5O4S/c1-14-11-27-31-12-18(22-19(26)4-3-5-21(22)34-2)17(10-20(14)31)23(33)28-24-29-30-25(36-24)35-13-15-6-8-16(32)9-7-15/h3-5,10-12,15-16,32H,6-9,13H2,1-2H3,(H,28,29,33)
• InChIKey: LVGXYVYRHWMJOO-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 110.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide?

The IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide (CID 175747250) is 6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide.

What is the SMILES notation for 6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide?

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

What is the InChIKey of 6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide?

The InChIKey is LVGXYVYRHWMJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O4S/c1-14-11-27-31-12-18(22-19(26)4-3-5-21(22)34-2)17(10-20(14)31)23(33)28-24-29-30-25(36-24)35-13-15-6-8-16(32)9-7-15/h3-5,10-12,15-16,32H,6-9,13H2,1-2H3,(H,28,29,33).

What are the key properties of 6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide?

6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 511.58 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 175747250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).