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

C16H24N4O6S — CID 175945997

IUPAC6-[[1-(1,3-dihydroxy-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)(CO)CO)CC1)CC2
InChIInChI=1S/C16H24N4O6S/c1-15(8-21,9-22)27(25,26)16(4-5-16)7-20-6-3-10-11(13(17)23)18-19(2)12(10)14(20)24/h21-22H,3-9H2,1-2H3,(H2,17,23)
InChIKeyRZIQEXYMWZBMBQ-UHFFFAOYSA-N
MW400.46 g/mol
LogP-1.79
Rot. Bonds7

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

6-[[1-(1,3-dihydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 175945997) has the molecular formula C16H24N4O6S and a molecular weight of 400.46 g/mol. Its IUPAC name is 6-[[1-(1,3-dihydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(1,3-dihydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID175945997
Molecular FormulaC16H24N4O6S
Molecular Weight400.46 g/mol
Exact Mass400.14
IUPAC Name6-[[1-(1,3-dihydroxy-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)(CO)CO)CC1)CC2
InChIInChI=1S/C16H24N4O6S/c1-15(8-21,9-22)27(25,26)16(4-5-16)7-20-6-3-10-11(13(17)23)18-19(2)12(10)14(20)24/h21-22H,3-9H2,1-2H3,(H2,17,23)
InChIKeyRZIQEXYMWZBMBQ-UHFFFAOYSA-N
XLogP-1.79
TPSA155.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(1,3-dihydroxy-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-(1,3-dihydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 175945997) is 6-[[1-(1,3-dihydroxy-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-(1,3-dihydroxy-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-(1,3-dihydroxy-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)(CO)CO)CC1)CC2.
What is the InChIKey of 6-[[1-(1,3-dihydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is RZIQEXYMWZBMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O6S/c1-15(8-21,9-22)27(25,26)16(4-5-16)7-20-6-3-10-11(13(17)23)18-19(2)12(10)14(20)24/h21-22H,3-9H2,1-2H3,(H2,17,23).
What are the key properties of 6-[[1-(1,3-dihydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[[1-(1,3-dihydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 400.46 g/mol, XLogP of -1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(1,3-dihydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 175945997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).