cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide

C24H30F2N4O5 — CID 176956429

IUPACcyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide
SMILESC1CC1.COc1cc(-c2cnn3cc(OC(C)C(C)(C)O)c(C)nc23)cc(OC(F)F)c1C(N)=O
InChIInChI=1S/C21H24F2N4O5.C3H6/c1-10-16(31-11(2)21(3,4)29)9-27-19(26-10)13(8-25-27)12-6-14(30-5)17(18(24)28)15(7-12)32-20(22)23;1-2-3-1/h6-9,11,20,29H,1-5H3,(H2,24,28);1-3H2
InChIKeyYMKDEOZDYWMXAX-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.12
Rot. Bonds8

About cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide

cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide (PubChem CID 176956429) has the molecular formula C24H30F2N4O5 and a molecular weight of 492.52 g/mol. Its IUPAC name is cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide.

Molecular Properties

Compound Namecyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide
PubChem CID176956429
Molecular FormulaC24H30F2N4O5
Molecular Weight492.52 g/mol
Exact Mass492.22
IUPAC Namecyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide
SMILESC1CC1.COc1cc(-c2cnn3cc(OC(C)C(C)(C)O)c(C)nc23)cc(OC(F)F)c1C(N)=O
InChIInChI=1S/C21H24F2N4O5.C3H6/c1-10-16(31-11(2)21(3,4)29)9-27-19(26-10)13(8-25-27)12-6-14(30-5)17(18(24)28)15(7-12)32-20(22)23;1-2-3-1/h6-9,11,20,29H,1-5H3,(H2,24,28);1-3H2
InChIKeyYMKDEOZDYWMXAX-UHFFFAOYSA-N
XLogP4.12
TPSA121.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide?
The IUPAC name of cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide (CID 176956429) is cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide.
What is the SMILES notation for cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide?
The canonical SMILES for cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide is C1CC1.COc1cc(-c2cnn3cc(OC(C)C(C)(C)O)c(C)nc23)cc(OC(F)F)c1C(N)=O.
What is the InChIKey of cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide?
The InChIKey is YMKDEOZDYWMXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O5.C3H6/c1-10-16(31-11(2)21(3,4)29)9-27-19(26-10)13(8-25-27)12-6-14(30-5)17(18(24)28)15(7-12)32-20(22)23;1-2-3-1/h6-9,11,20,29H,1-5H3,(H2,24,28);1-3H2.
What are the key properties of cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide?
cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide has a molecular weight of 492.52 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide is sourced from PubChem (CID 176956429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).