2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole

C22H14N6OS2 — CID 140971284

IUPAC2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole
SMILESc1c[nH]c(-c2c(-c3cccs3)nc(-c3ncco3)c(-c3nccs3)c2-c2ccn[nH]2)c1
InChIInChI=1S/C22H14N6OS2/c1-3-13(23-6-1)17-16(14-5-7-26-28-14)18(22-25-9-12-31-22)20(21-24-8-10-29-21)27-19(17)15-4-2-11-30-15/h1-12,23H,(H,26,28)
InChIKeyLQYXVYMCBIGHFA-UHFFFAOYSA-N
MW442.53 g/mol
LogP5.97
Rot. Bonds5

About 2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole

2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole (PubChem CID 140971284) has the molecular formula C22H14N6OS2 and a molecular weight of 442.53 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole
PubChem CID140971284
Molecular FormulaC22H14N6OS2
Molecular Weight442.53 g/mol
Exact Mass442.07
IUPAC Name2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole
SMILESc1c[nH]c(-c2c(-c3cccs3)nc(-c3ncco3)c(-c3nccs3)c2-c2ccn[nH]2)c1
InChIInChI=1S/C22H14N6OS2/c1-3-13(23-6-1)17-16(14-5-7-26-28-14)18(22-25-9-12-31-22)20(21-24-8-10-29-21)27-19(17)15-4-2-11-30-15/h1-12,23H,(H,26,28)
InChIKeyLQYXVYMCBIGHFA-UHFFFAOYSA-N
XLogP5.97
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole with MolForge

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Related Compounds

N-(3-fluoro-4-pyridinyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide
CID 118610854
3-(furan-2-yl)-N-((5-(thiophen-2-yl)pyridin-3-yl)methyl)-1H-pyrazole-5-carboxamide
CID 91630659
2-(6-Phenyl-6-thiophen-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21928818
2-[6-Phenyl-6-(1,3-thiazol-4-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
CID 21928836
2-(6-Phenyl-6-thiophen-2-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21929183
2-(6,6-Dithiophen-2-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21929521
2-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
CID 21929577
2-[6-Phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
CID 21929779
[2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 56967438
[2-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-4-pyridinyl]-[(2R)-2-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 56967439
[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 56967503
4-(1,3-oxazol-2-yl)-2-[2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethyl]-3H-isoindol-1-one
CID 57330858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole (CID 140971284) is 2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole is c1c[nH]c(-c2c(-c3cccs3)nc(-c3ncco3)c(-c3nccs3)c2-c2ccn[nH]2)c1.
What is the InChIKey of 2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole?
The InChIKey is LQYXVYMCBIGHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6OS2/c1-3-13(23-6-1)17-16(14-5-7-26-28-14)18(22-25-9-12-31-22)20(21-24-8-10-29-21)27-19(17)15-4-2-11-30-15/h1-12,23H,(H,26,28).
What are the key properties of 2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole?
2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole has a molecular weight of 442.53 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 140971284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).