2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole

C23H14N6O2S — CID 90712692

IUPAC2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole
SMILESc1ccc(-c2cn[nH]c2-c2nccc(-c3occc3-c3sccc3-c3ncco3)n2)nc1
InChIInChI=1S/C23H14N6O2S/c1-2-7-24-17(3-1)16-13-27-29-19(16)22-25-8-4-18(28-22)20-14(5-10-30-20)21-15(6-12-32-21)23-26-9-11-31-23/h1-13H,(H,27,29)
InChIKeyABMCTRXFLAFLDV-UHFFFAOYSA-N
MW438.47 g/mol
LogP5.57
Rot. Bonds5

About 2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole

2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole (PubChem CID 90712692) has the molecular formula C23H14N6O2S and a molecular weight of 438.47 g/mol. Its IUPAC name is 2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole
PubChem CID90712692
Molecular FormulaC23H14N6O2S
Molecular Weight438.47 g/mol
Exact Mass438.09
IUPAC Name2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole
SMILESc1ccc(-c2cn[nH]c2-c2nccc(-c3occc3-c3sccc3-c3ncco3)n2)nc1
InChIInChI=1S/C23H14N6O2S/c1-2-7-24-17(3-1)16-13-27-29-19(16)22-25-8-4-18(28-22)20-14(5-10-30-20)21-15(6-12-32-21)23-26-9-11-31-23/h1-13H,(H,27,29)
InChIKeyABMCTRXFLAFLDV-UHFFFAOYSA-N
XLogP5.57
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.47
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

US10100058, Example 339
CID 134539753
2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine
CID 135218258
3-(furan-2-yl)-N-((5-(thiophen-2-yl)pyridin-3-yl)methyl)-1H-pyrazole-5-carboxamide
CID 91630659
3-(furan-2-yl)-N-((6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-1H-pyrazole-5-carboxamide
CID 91632181
2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide
CID 11451719
3-[(2S)-2-amino-3-thiophen-3-ylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 25222709
2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole
CID 54550762
3-[(2R)-2-amino-3-thiophen-3-ylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 68853372
2-methylpropyl N-[(2S)-1-[[2-amino-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-3-pyridinyl]oxy]-3-thiophen-3-ylpropan-2-yl]carbamate
CID 68853563
N-[3-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide
CID 69702410
tert-butyl N-[(2S)-1-[[2-amino-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-3-pyridinyl]oxy]-3-thiophen-3-ylpropan-2-yl]carbamate
CID 90767925
N-[2-(diethylamino)propyl]-2-(1,3-oxazol-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539756

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole?
The IUPAC name of 2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole (CID 90712692) is 2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole is c1ccc(-c2cn[nH]c2-c2nccc(-c3occc3-c3sccc3-c3ncco3)n2)nc1.
What is the InChIKey of 2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole?
The InChIKey is ABMCTRXFLAFLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N6O2S/c1-2-7-24-17(3-1)16-13-27-29-19(16)22-25-8-4-18(28-22)20-14(5-10-30-20)21-15(6-12-32-21)23-26-9-11-31-23/h1-13H,(H,27,29).
What are the key properties of 2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole?
2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole has a molecular weight of 438.47 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(4-pyridin-2-yl-1H-pyrazol-5-yl)pyrimidin-4-yl]furan-3-yl]thiophen-3-yl]-1,3-oxazole is sourced from PubChem (CID 90712692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).