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

C18H17N5O4S — CID 138512780

IUPAC4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCc1nn(C)cc1Cn1cc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)cn1
InChIInChI=1S/C18H17N5O4S/c1-10-12(8-21(2)20-10)9-22-6-11(5-19-22)7-23-13-3-4-28-16(13)14(18(26)27)15(24)17(23)25/h3-6,8,24H,7,9H2,1-2H3,(H,26,27)
InChIKeyLNPNXPBQRYARGI-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.80
Rot. Bonds5

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

4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512780) has the molecular formula C18H17N5O4S and a molecular weight of 399.43 g/mol. Its IUPAC name is 4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512780
Molecular FormulaC18H17N5O4S
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC Name4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCc1nn(C)cc1Cn1cc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)cn1
InChIInChI=1S/C18H17N5O4S/c1-10-12(8-21(2)20-10)9-22-6-11(5-19-22)7-23-13-3-4-28-16(13)14(18(26)27)15(24)17(23)25/h3-6,8,24H,7,9H2,1-2H3,(H,26,27)
InChIKeyLNPNXPBQRYARGI-UHFFFAOYSA-N
XLogP1.80
TPSA115.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

US11584755, Example 137
CID 138512791
US11584755, Example 28
CID 138506091
US11584755, Example 18
CID 138512670
US11584755, Example 22
CID 138512680
US11584755, Example 121
CID 138512692
US11584755, Example 123
CID 138512695
US11584755, Example 122
CID 138512697
US11584755, Example 19
CID 138512740
US11584755, Example 21
CID 138512749
US11584755, Example 24
CID 138512750
US11584755, Example 27
CID 138512753
US11584755, Example 108
CID 138512770

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138512780) is 4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is Cc1nn(C)cc1Cn1cc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)cn1.
What is the InChIKey of 4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is LNPNXPBQRYARGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4S/c1-10-12(8-21(2)20-10)9-22-6-11(5-19-22)7-23-13-3-4-28-16(13)14(18(26)27)15(24)17(23)25/h3-6,8,24H,7,9H2,1-2H3,(H,26,27).
What are the key properties of 4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 399.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).