5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid

C27H21N7O6S2 — CID 158835625

IUPAC5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid
SMILESCC(O)CNC(=O)c1ccc(-c2ccn3ncc(C=O)c3n2)s1.O=Cc1cnn2ccc(-c3ccc(C(=O)O)s3)nc12
InChIInChI=1S/C15H14N4O3S.C12H7N3O3S/c1-9(21)6-16-15(22)13-3-2-12(23-13)11-4-5-19-14(18-11)10(8-20)7-17-19;16-6-7-5-13-15-4-3-8(14-11(7)15)9-1-2-10(19-9)12(17)18/h2-5,7-9,21H,6H2,1H3,(H,16,22);1-6H,(H,17,18)
InChIKeyIXPCMLRCRQZWAR-UHFFFAOYSA-N
MW603.64 g/mol
LogP3.35
Rot. Bonds8

About 5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid

5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid (PubChem CID 158835625) has the molecular formula C27H21N7O6S2 and a molecular weight of 603.64 g/mol. Its IUPAC name is 5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid
PubChem CID158835625
Molecular FormulaC27H21N7O6S2
Molecular Weight603.64 g/mol
Exact Mass603.10
IUPAC Name5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid
SMILESCC(O)CNC(=O)c1ccc(-c2ccn3ncc(C=O)c3n2)s1.O=Cc1cnn2ccc(-c3ccc(C(=O)O)s3)nc12
InChIInChI=1S/C15H14N4O3S.C12H7N3O3S/c1-9(21)6-16-15(22)13-3-2-12(23-13)11-4-5-19-14(18-11)10(8-20)7-17-19;16-6-7-5-13-15-4-3-8(14-11(7)15)9-1-2-10(19-9)12(17)18/h2-5,7-9,21H,6H2,1H3,(H,16,22);1-6H,(H,17,18)
InChIKeyIXPCMLRCRQZWAR-UHFFFAOYSA-N
XLogP3.35
TPSA181.15 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.64
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid (CID 158835625) is 5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid is CC(O)CNC(=O)c1ccc(-c2ccn3ncc(C=O)c3n2)s1.O=Cc1cnn2ccc(-c3ccc(C(=O)O)s3)nc12.
What is the InChIKey of 5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid?
The InChIKey is IXPCMLRCRQZWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S.C12H7N3O3S/c1-9(21)6-16-15(22)13-3-2-12(23-13)11-4-5-19-14(18-11)10(8-20)7-17-19;16-6-7-5-13-15-4-3-8(14-11(7)15)9-1-2-10(19-9)12(17)18/h2-5,7-9,21H,6H2,1H3,(H,16,22);1-6H,(H,17,18).
What are the key properties of 5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid?
5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid has a molecular weight of 603.64 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 158835625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).