2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide

C23H24F3N3O5 — CID 155727757

IUPAC2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide
SMILESCOc1cc(-c2cnn3cc(OC(C)(C)CO)ccc23)cc(OC(F)F)c1C(=O)NC1CC1F
InChIInChI=1S/C23H24F3N3O5/c1-23(2,11-30)34-13-4-5-17-14(9-27-29(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)28-16-8-15(16)24/h4-7,9-10,15-16,22,30H,8,11H2,1-3H3,(H,28,31)
InChIKeyYKEJTMGCKFMGKB-UHFFFAOYSA-N
MW479.46 g/mol
LogP3.60
Rot. Bonds9

About 2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide

2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide (PubChem CID 155727757) has the molecular formula C23H24F3N3O5 and a molecular weight of 479.46 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide
PubChem CID155727757
Molecular FormulaC23H24F3N3O5
Molecular Weight479.46 g/mol
Exact Mass479.17
IUPAC Name2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide
SMILESCOc1cc(-c2cnn3cc(OC(C)(C)CO)ccc23)cc(OC(F)F)c1C(=O)NC1CC1F
InChIInChI=1S/C23H24F3N3O5/c1-23(2,11-30)34-13-4-5-17-14(9-27-29(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)28-16-8-15(16)24/h4-7,9-10,15-16,22,30H,8,11H2,1-3H3,(H,28,31)
InChIKeyYKEJTMGCKFMGKB-UHFFFAOYSA-N
XLogP3.60
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide (CID 155727757) is 2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide is COc1cc(-c2cnn3cc(OC(C)(C)CO)ccc23)cc(OC(F)F)c1C(=O)NC1CC1F.
What is the InChIKey of 2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide?
The InChIKey is YKEJTMGCKFMGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O5/c1-23(2,11-30)34-13-4-5-17-14(9-27-29(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)28-16-8-15(16)24/h4-7,9-10,15-16,22,30H,8,11H2,1-3H3,(H,28,31).
What are the key properties of 2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide?
2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide has a molecular weight of 479.46 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide is sourced from PubChem (CID 155727757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).