6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

C18H18N4O6S — CID 138506074

IUPAC6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cn[nH]c2CC(=O)N2CC[C@@H](O)C2)c2ccsc12
InChIInChI=1S/C18H18N4O6S/c23-10-1-3-21(8-10)13(24)5-11-9(6-19-20-11)7-22-12-2-4-29-16(12)14(18(27)28)15(25)17(22)26/h2,4,6,10,23,25H,1,3,5,7-8H2,(H,19,20)(H,27,28)/t10-/m1/s1
InChIKeyDHWKVBVBPBLGQD-SNVBAGLBSA-N
MW418.43 g/mol
LogP0.37
Rot. Bonds5

About 6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138506074) has the molecular formula C18H18N4O6S and a molecular weight of 418.43 g/mol. Its IUPAC name is 6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138506074
Molecular FormulaC18H18N4O6S
Molecular Weight418.43 g/mol
Exact Mass418.09
IUPAC Name6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cn[nH]c2CC(=O)N2CC[C@@H](O)C2)c2ccsc12
InChIInChI=1S/C18H18N4O6S/c23-10-1-3-21(8-10)13(24)5-11-9(6-19-20-11)7-22-12-2-4-29-16(12)14(18(27)28)15(25)17(22)26/h2,4,6,10,23,25H,1,3,5,7-8H2,(H,19,20)(H,27,28)/t10-/m1/s1
InChIKeyDHWKVBVBPBLGQD-SNVBAGLBSA-N
XLogP0.37
TPSA148.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid with MolForge

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Related Compounds

(3R)-1-chloropyrrolidin-3-ol;2-[4-[(7-ethoxycarbonyl-6-hydroxy-5-oxothieno[3,2-b]pyridin-4-yl)methyl]pyrazol-1-yl]acetic acid;ethyl 6-hydroxy-4-[[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylate
CID 165049093
6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512980
4-[(4-aminophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512801
6-hydroxy-5-oxo-4-[(1-phenyltriazol-4-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
CID 138512670
6-hydroxy-4-[[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512822
6-hydroxy-4-[(3-methylsulfonylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512693
1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 79139214
CID 164984844
CID 164984844
6-hydroxy-4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512982
3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 55131726
6-hydroxy-4-[(2-isoquinolin-5-yl-1,3-thiazol-5-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512901
2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029330

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138506074) is 6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2cn[nH]c2CC(=O)N2CC[C@@H](O)C2)c2ccsc12.
What is the InChIKey of 6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is DHWKVBVBPBLGQD-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H18N4O6S/c23-10-1-3-21(8-10)13(24)5-11-9(6-19-20-11)7-22-12-2-4-29-16(12)14(18(27)28)15(25)17(22)26/h2,4,6,10,23,25H,1,3,5,7-8H2,(H,19,20)(H,27,28)/t10-/m1/s1.
What are the key properties of 6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 418.43 g/mol, XLogP of 0.37, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138506074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).