4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid

C15H15N3O2S — CID 146141028

IUPAC4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid
SMILESCn1ncc2ncc(-c3ccc(CCCC(=O)O)s3)cc21
InChIInChI=1S/C15H15N3O2S/c1-18-13-7-10(8-16-12(13)9-17-18)14-6-5-11(21-14)3-2-4-15(19)20/h5-9H,2-4H2,1H3,(H,19,20)
InChIKeyNVWBMCBLSQXVJP-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.10
Rot. Bonds5

About 4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid

4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid (PubChem CID 146141028) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid
PubChem CID146141028
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid
SMILESCn1ncc2ncc(-c3ccc(CCCC(=O)O)s3)cc21
InChIInChI=1S/C15H15N3O2S/c1-18-13-7-10(8-16-12(13)9-17-18)14-6-5-11(21-14)3-2-4-15(19)20/h5-9H,2-4H2,1H3,(H,19,20)
InChIKeyNVWBMCBLSQXVJP-UHFFFAOYSA-N
XLogP3.10
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid?
The IUPAC name of 4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid (CID 146141028) is 4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid is Cn1ncc2ncc(-c3ccc(CCCC(=O)O)s3)cc21.
What is the InChIKey of 4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid?
The InChIKey is NVWBMCBLSQXVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-18-13-7-10(8-16-12(13)9-17-18)14-6-5-11(21-14)3-2-4-15(19)20/h5-9H,2-4H2,1H3,(H,19,20).
What are the key properties of 4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid?
4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid has a molecular weight of 301.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)thiophen-2-yl]butanoic acid is sourced from PubChem (CID 146141028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).