5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid

C34H30ClN5O6S2 — CID 158134760

IUPAC5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1.O=Cc1cnn2c(CC3CC3)cc(-c3csc(C(=O)O)c3)nc12.O=Cc1cnn2c(CC3CC3)cc(Cl)cc12
InChIInChI=1S/C16H13N3O3S.C12H11ClN2O.C6H6O2S/c20-7-11-6-17-19-12(3-9-1-2-9)5-13(18-15(11)19)10-4-14(16(21)22)23-8-10;13-10-4-11(3-8-1-2-8)15-12(5-10)9(7-16)6-14-15;1-4-2-5(6(7)8)9-3-4/h4-9H,1-3H2,(H,21,22);4-8H,1-3H2;2-3H,1H3,(H,7,8)
InChIKeyFTFDSYBLANUGDH-UHFFFAOYSA-N
MW704.23 g/mol
LogP7.43
Rot. Bonds9

About 5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid

5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid (PubChem CID 158134760) has the molecular formula C34H30ClN5O6S2 and a molecular weight of 704.23 g/mol. Its IUPAC name is 5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid
PubChem CID158134760
Molecular FormulaC34H30ClN5O6S2
Molecular Weight704.23 g/mol
Exact Mass703.13
IUPAC Name5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1.O=Cc1cnn2c(CC3CC3)cc(-c3csc(C(=O)O)c3)nc12.O=Cc1cnn2c(CC3CC3)cc(Cl)cc12
InChIInChI=1S/C16H13N3O3S.C12H11ClN2O.C6H6O2S/c20-7-11-6-17-19-12(3-9-1-2-9)5-13(18-15(11)19)10-4-14(16(21)22)23-8-10;13-10-4-11(3-8-1-2-8)15-12(5-10)9(7-16)6-14-15;1-4-2-5(6(7)8)9-3-4/h4-9H,1-3H2,(H,21,22);4-8H,1-3H2;2-3H,1H3,(H,7,8)
InChIKeyFTFDSYBLANUGDH-UHFFFAOYSA-N
XLogP7.43
TPSA156.23 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500704.23
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid (CID 158134760) is 5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1.O=Cc1cnn2c(CC3CC3)cc(-c3csc(C(=O)O)c3)nc12.O=Cc1cnn2c(CC3CC3)cc(Cl)cc12.
What is the InChIKey of 5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid?
The InChIKey is FTFDSYBLANUGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S.C12H11ClN2O.C6H6O2S/c20-7-11-6-17-19-12(3-9-1-2-9)5-13(18-15(11)19)10-4-14(16(21)22)23-8-10;13-10-4-11(3-8-1-2-8)15-12(5-10)9(7-16)6-14-15;1-4-2-5(6(7)8)9-3-4/h4-9H,1-3H2,(H,21,22);4-8H,1-3H2;2-3H,1H3,(H,7,8).
What are the key properties of 5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid?
5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid has a molecular weight of 704.23 g/mol, XLogP of 7.43, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(cyclopropylmethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;4-[7-(cyclopropylmethyl)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 158134760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).