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

C23H28F2N4O5 — CID 176956371

IUPACcyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxypyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide
SMILESC1CC1.COc1cc(-c2cnn3cc(OC(C)C(C)(C)O)cnc23)cc(OC(F)F)c1C(N)=O
InChIInChI=1S/C20H22F2N4O5.C3H6/c1-10(20(2,3)28)30-12-7-24-18-13(8-25-26(18)9-12)11-5-14(29-4)16(17(23)27)15(6-11)31-19(21)22;1-2-3-1/h5-10,19,28H,1-4H3,(H2,23,27);1-3H2
InChIKeyQBQQSOAXQWWCGA-UHFFFAOYSA-N
MW478.50 g/mol
LogP3.81
Rot. Bonds8

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

cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxypyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide (PubChem CID 176956371) has the molecular formula C23H28F2N4O5 and a molecular weight of 478.50 g/mol. Its IUPAC name is cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxypyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide.

Molecular Properties

Compound Namecyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxypyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide
PubChem CID176956371
Molecular FormulaC23H28F2N4O5
Molecular Weight478.50 g/mol
Exact Mass478.20
IUPAC Namecyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxypyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide
SMILESC1CC1.COc1cc(-c2cnn3cc(OC(C)C(C)(C)O)cnc23)cc(OC(F)F)c1C(N)=O
InChIInChI=1S/C20H22F2N4O5.C3H6/c1-10(20(2,3)28)30-12-7-24-18-13(8-25-26(18)9-12)11-5-14(29-4)16(17(23)27)15(6-11)31-19(21)22;1-2-3-1/h5-10,19,28H,1-4H3,(H2,23,27);1-3H2
InChIKeyQBQQSOAXQWWCGA-UHFFFAOYSA-N
XLogP3.81
TPSA121.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.81
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)oxypyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide?
The IUPAC name of cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxypyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide (CID 176956371) is cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxypyrazolo[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)oxypyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide?
The canonical SMILES for cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxypyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide is C1CC1.COc1cc(-c2cnn3cc(OC(C)C(C)(C)O)cnc23)cc(OC(F)F)c1C(N)=O.
What is the InChIKey of cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxypyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide?
The InChIKey is QBQQSOAXQWWCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O5.C3H6/c1-10(20(2,3)28)30-12-7-24-18-13(8-25-26(18)9-12)11-5-14(29-4)16(17(23)27)15(6-11)31-19(21)22;1-2-3-1/h5-10,19,28H,1-4H3,(H2,23,27);1-3H2.
What are the key properties of cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxypyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide?
cyclopropane;2-(difluoromethoxy)-4-[6-(3-hydroxy-3-methylbutan-2-yl)oxypyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide has a molecular weight of 478.50 g/mol, XLogP of 3.81, 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)oxypyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxybenzamide is sourced from PubChem (CID 176956371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).