4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

C24H23FN6O3S — CID 170550763

IUPAC4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESCOc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OCC2CCCn3nccc32)s1
InChIInChI=1S/C24H23FN6O3S/c1-14-11-16(21-18(25)6-3-7-20(21)33-2)17(12-26-14)22(32)28-23-29-30-24(35-23)34-13-15-5-4-10-31-19(15)8-9-27-31/h3,6-9,11-12,15H,4-5,10,13H2,1-2H3,(H,28,29,32)
InChIKeyZBGRFRREGWNREF-UHFFFAOYSA-N
MW494.55 g/mol
LogP4.46
Rot. Bonds7

About 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (PubChem CID 170550763) has the molecular formula C24H23FN6O3S and a molecular weight of 494.55 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
PubChem CID170550763
Molecular FormulaC24H23FN6O3S
Molecular Weight494.55 g/mol
Exact Mass494.15
IUPAC Name4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESCOc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OCC2CCCn3nccc32)s1
InChIInChI=1S/C24H23FN6O3S/c1-14-11-16(21-18(25)6-3-7-20(21)33-2)17(12-26-14)22(32)28-23-29-30-24(35-23)34-13-15-5-4-10-31-19(15)8-9-27-31/h3,6-9,11-12,15H,4-5,10,13H2,1-2H3,(H,28,29,32)
InChIKeyZBGRFRREGWNREF-UHFFFAOYSA-N
XLogP4.46
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

Pol|E-IN-3
CID 171490645
N-(5-((5-chloropyridin-2-yl)methoxy)-1,3,4-thiadiazol-2-yl)-4-(2-methoxyphenyl)-6-methylnicotinamide
CID 155342674
US10130619, Example 178
CID 121407642
US10130619, Example 43
CID 121407700
US10130619, Example 45
CID 121407784
4-(2-fluoro-6-methoxyphenyl)-N-[5-[[7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 177376233
4-(5-fluoro-2-methoxyphenyl)-N-[5-[[7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 177376234
N-(2-ethylpyrazol-3-yl)-2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetamide
CID 45029299
N-(5-((4-fluoropyridin-2-yl)methoxy)-1,3,4-thiadiazol-2-yl)-4-(2-methoxyphenyl)-6-methylnicotinamide
CID 155342274
N-(5-((5-chloropyridin-2-yl)methoxy)-1,3,4-thiadiazol-2-yl)-6-cyano-4-(2-fluoro-6-methoxyphenyl)nicotinamide
CID 155342282
N-(5-((5-chloropyridin-2-yl)methoxy)-1,3,4-thiadiazol-2-yl)-4-(2-fluoro-6-methoxyphenyl)-6-methylnicotinamide
CID 155342334
N-[5-[(3-fluoropyridin-2-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 155342335

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (CID 170550763) is 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is COc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OCC2CCCn3nccc32)s1.
What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is ZBGRFRREGWNREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3S/c1-14-11-16(21-18(25)6-3-7-20(21)33-2)17(12-26-14)22(32)28-23-29-30-24(35-23)34-13-15-5-4-10-31-19(15)8-9-27-31/h3,6-9,11-12,15H,4-5,10,13H2,1-2H3,(H,28,29,32).
What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 170550763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).