5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid

C23H17N5O2S — CID 70217121

IUPAC5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
SMILESCc1c(-c2ccc(C(=O)O)s2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C23H17N5O2S/c1-13-20(18-9-10-19(31-18)23(29)30)27-22-16(12-26-28(22)21(13)24)15-7-8-17(25-11-15)14-5-3-2-4-6-14/h2-12H,24H2,1H3,(H,29,30)
InChIKeyAKCHOVCHIGQFLL-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.78
Rot. Bonds4

About 5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid

5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid (PubChem CID 70217121) has the molecular formula C23H17N5O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is 5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
PubChem CID70217121
Molecular FormulaC23H17N5O2S
Molecular Weight427.49 g/mol
Exact Mass427.11
IUPAC Name5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
SMILESCc1c(-c2ccc(C(=O)O)s2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C23H17N5O2S/c1-13-20(18-9-10-19(31-18)23(29)30)27-22-16(12-26-28(22)21(13)24)15-7-8-17(25-11-15)14-5-3-2-4-6-14/h2-12H,24H2,1H3,(H,29,30)
InChIKeyAKCHOVCHIGQFLL-UHFFFAOYSA-N
XLogP4.78
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid (CID 70217121) is 5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid is Cc1c(-c2ccc(C(=O)O)s2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.
What is the InChIKey of 5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid?
The InChIKey is AKCHOVCHIGQFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S/c1-13-20(18-9-10-19(31-18)23(29)30)27-22-16(12-26-28(22)21(13)24)15-7-8-17(25-11-15)14-5-3-2-4-6-14/h2-12H,24H2,1H3,(H,29,30).
What are the key properties of 5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid?
5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid has a molecular weight of 427.49 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 70217121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).