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

C18H27FN4O6S — CID 175945994

IUPAC6-[[1-[1-(1-fluoro-2-hydroxyethoxy)-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)CO)CC1)CC2
InChIInChI=1S/C18H27FN4O6S/c1-17(2,10-29-12(19)8-24)30(27,28)18(5-6-18)9-23-7-4-11-13(15(20)25)21-22(3)14(11)16(23)26/h12,24H,4-10H2,1-3H3,(H2,20,25)
InChIKeyLQWWNXVXOAXQQS-UHFFFAOYSA-N
MW446.50 g/mol
LogP-0.45
Rot. Bonds9

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

6-[[1-[1-(1-fluoro-2-hydroxyethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 175945994) has the molecular formula C18H27FN4O6S and a molecular weight of 446.50 g/mol. Its IUPAC name is 6-[[1-[1-(1-fluoro-2-hydroxyethoxy)-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-(1-fluoro-2-hydroxyethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID175945994
Molecular FormulaC18H27FN4O6S
Molecular Weight446.50 g/mol
Exact Mass446.16
IUPAC Name6-[[1-[1-(1-fluoro-2-hydroxyethoxy)-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)CO)CC1)CC2
InChIInChI=1S/C18H27FN4O6S/c1-17(2,10-29-12(19)8-24)30(27,28)18(5-6-18)9-23-7-4-11-13(15(20)25)21-22(3)14(11)16(23)26/h12,24H,4-10H2,1-3H3,(H2,20,25)
InChIKeyLQWWNXVXOAXQQS-UHFFFAOYSA-N
XLogP-0.45
TPSA144.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[1-[1-(1-fluoro-2-hydroxyethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[1-(1-fluoro-2-hydroxyethoxy)-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-(1-fluoro-2-hydroxyethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 175945994) is 6-[[1-[1-(1-fluoro-2-hydroxyethoxy)-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-(1-fluoro-2-hydroxyethoxy)-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-(1-fluoro-2-hydroxyethoxy)-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)CO)CC1)CC2.
What is the InChIKey of 6-[[1-[1-(1-fluoro-2-hydroxyethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is LQWWNXVXOAXQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O6S/c1-17(2,10-29-12(19)8-24)30(27,28)18(5-6-18)9-23-7-4-11-13(15(20)25)21-22(3)14(11)16(23)26/h12,24H,4-10H2,1-3H3,(H2,20,25).
What are the key properties of 6-[[1-[1-(1-fluoro-2-hydroxyethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[[1-[1-(1-fluoro-2-hydroxyethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 446.50 g/mol, XLogP of -0.45, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[1-(1-fluoro-2-hydroxyethoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 175945994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).