6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C17H24F2N4O5S — CID 175945991

IUPAC6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1C(=O)N(CC1(S(=O)(=O)C(C)(C)COC(F)F)CC1)CC2
InChIInChI=1S/C17H24F2N4O5S/c1-16(2,9-28-15(18)19)29(26,27)17(5-6-17)8-23-7-4-10-11(13(20)24)21-22(3)12(10)14(23)25/h15H,4-9H2,1-3H3,(H2,20,24)
InChIKeyLVLCQBNUMHEIEL-UHFFFAOYSA-N
MW434.47 g/mol
LogP0.48
Rot. Bonds8

About 6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 175945991) has the molecular formula C17H24F2N4O5S and a molecular weight of 434.47 g/mol. Its IUPAC name is 6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID175945991
Molecular FormulaC17H24F2N4O5S
Molecular Weight434.47 g/mol
Exact Mass434.14
IUPAC Name6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1C(=O)N(CC1(S(=O)(=O)C(C)(C)COC(F)F)CC1)CC2
InChIInChI=1S/C17H24F2N4O5S/c1-16(2,9-28-15(18)19)29(26,27)17(5-6-17)8-23-7-4-10-11(13(20)24)21-22(3)12(10)14(23)25/h15H,4-9H2,1-3H3,(H2,20,24)
InChIKeyLVLCQBNUMHEIEL-UHFFFAOYSA-N
XLogP0.48
TPSA124.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 175945991) is 6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cn1nc(C(N)=O)c2c1C(=O)N(CC1(S(=O)(=O)C(C)(C)COC(F)F)CC1)CC2.
What is the InChIKey of 6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is LVLCQBNUMHEIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O5S/c1-16(2,9-28-15(18)19)29(26,27)17(5-6-17)8-23-7-4-10-11(13(20)24)21-22(3)12(10)14(23)25/h15H,4-9H2,1-3H3,(H2,20,24).
What are the key properties of 6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 0.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[1-(difluoromethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 175945991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).