2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde

C19H14N6O2S — CID 134574413

IUPAC2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCNC2=O)c1
InChIInChI=1S/C19H14N6O2S/c26-11-12-8-15(22-17(9-12)24-6-4-20-19(24)27)13-10-21-25-5-3-14(23-18(13)25)16-2-1-7-28-16/h1-3,5,7-11H,4,6H2,(H,20,27)
InChIKeyZIHAJKYKIJTBQW-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.86
Rot. Bonds4

About 2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde

2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde (PubChem CID 134574413) has the molecular formula C19H14N6O2S and a molecular weight of 390.43 g/mol. Its IUPAC name is 2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde
PubChem CID134574413
Molecular FormulaC19H14N6O2S
Molecular Weight390.43 g/mol
Exact Mass390.09
IUPAC Name2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCNC2=O)c1
InChIInChI=1S/C19H14N6O2S/c26-11-12-8-15(22-17(9-12)24-6-4-20-19(24)27)13-10-21-25-5-3-14(23-18(13)25)16-2-1-7-28-16/h1-3,5,7-11H,4,6H2,(H,20,27)
InChIKeyZIHAJKYKIJTBQW-UHFFFAOYSA-N
XLogP2.86
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(methylsulfanyl)amino]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde
CID 134574579
9-methyl-3,9-diazabicyclo[4.2.1]nonane;2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde
CID 142366057
3-[4-ethenyl-6-(2-ethyl-2-prop-2-enylazetidin-1-yl)-2-pyridinyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 134574548
2-amino-3-(1-oxopropan-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134564863
N-(2-aminopropyl)-2-(azetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134574578
3,6-diazabicyclo[3.2.2]nonan-3-yl-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
CID 134554023
2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134540220
N-[(2S)-2-(diethylamino)propyl]-2-(4-hydroxypiperidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539487
4-(diethylamino)-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]butan-1-one
CID 157336470
N-[(2S)-2-(diethylamino)propyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134540172
N-[2-(diethylamino)propyl]-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134540200
N-[(2S)-2-(diethylamino)propyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539764

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde (CID 134574413) is 2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde is O=Cc1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCNC2=O)c1.
What is the InChIKey of 2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde?
The InChIKey is ZIHAJKYKIJTBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2S/c26-11-12-8-15(22-17(9-12)24-6-4-20-19(24)27)13-10-21-25-5-3-14(23-18(13)25)16-2-1-7-28-16/h1-3,5,7-11H,4,6H2,(H,20,27).
What are the key properties of 2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde?
2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde has a molecular weight of 390.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoimidazolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde is sourced from PubChem (CID 134574413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).