2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine

C24H10N14O2S — CID 141087438

IUPAC2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine
SMILESc1cc2[nH]c(-n3nc(-c4nc5cncnc5o4)c(-c4onc5cncnc45)c3-c3nc4cncnc4s3)ncc-2n1
InChIInChI=1S/C24H10N14O2S/c1-2-28-11-6-29-24(35-10(1)11)38-18(23-34-14-5-27-9-32-22(14)41-23)15(19-16-12(37-40-19)3-25-7-30-16)17(36-38)21-33-13-4-26-8-31-20(13)39-21/h1-9H,(H,29,35)
InChIKeyLYZYZXBATAKIJA-UHFFFAOYSA-N
MW558.51 g/mol
LogP3.36
Rot. Bonds4

About 2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine

2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine (PubChem CID 141087438) has the molecular formula C24H10N14O2S and a molecular weight of 558.51 g/mol. Its IUPAC name is 2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine
PubChem CID141087438
Molecular FormulaC24H10N14O2S
Molecular Weight558.51 g/mol
Exact Mass558.08
IUPAC Name2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine
SMILESc1cc2[nH]c(-n3nc(-c4nc5cncnc5o4)c(-c4onc5cncnc45)c3-c3nc4cncnc4s3)ncc-2n1
InChIInChI=1S/C24H10N14O2S/c1-2-28-11-6-29-24(35-10(1)11)38-18(23-34-14-5-27-9-32-22(14)41-23)15(19-16-12(37-40-19)3-25-7-30-16)17(36-38)21-33-13-4-26-8-31-20(13)39-21/h1-9H,(H,29,35)
InChIKeyLYZYZXBATAKIJA-UHFFFAOYSA-N
XLogP3.36
TPSA201.68 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole
CID 123454194
5-[5-(4-pyrazin-2-ylpyridazin-3-yl)thiadiazol-4-yl]-4-[5-[4-[2-[2-[3-[2-[3-[2-[4-(1H-pyrazol-3-yl)-1H-imidazol-5-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-1,2-thiazol-4-yl]-3-pyridinyl]pyrimidin-4-yl]-1H-triazol-5-yl]tetrazol-1-yl]oxadiazole
CID 123662643
2-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrol-3-yl]-[1,3]oxazolo[5,4-b]pyridine
CID 141093979
3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine
CID 141093980
2-[3-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yldiazinan-1-yl]-1,3-oxazole
CID 141441719
tris(6H-cyclopenta[b]pyrazine);5H-cyclopenta[c]pyridazine;tris(6H-cyclopenta[c]pyridazine);5H-cyclopenta[d]pyrimidine;furo[2,3-b]pyrazine;furo[2,3-c]pyridazine;furo[3,2-c]pyridazine;furo[2,3-d]pyridazine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;pyrrolo[1,2-b]pyridazine;7H-pyrrolo[2,3-c]pyridazine;pyrrolo[1,2-c]pyrimidine;1H-pyrrolo[2,3-d]pyridazine;7H-pyrrolo[2,3-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-c]pyridazine;thieno[3,2-c]pyridazine;thieno[2,3-d]pyridazine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine
CID 157241333
CID 157369084
CID 157369084
6H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;1H-imidazo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[5,4-b]pyridine;5H-pyrrolo[2,3-b]pyrazine;tris(2H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,4-c]pyridine;tris(2H-pyrrolo[2,3-c]pyridine);tris(2H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,2]thiazolo[4,5-c]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine
CID 157466476
2,5-dimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine;2,6-dimethyl-5,7-dihydro-4H-furo[2,3-c]pyridine;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,6-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2,5-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;2,6-dimethyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;2,5-dimethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2,5-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;2,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 157496994
5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;imidazo[1,2-a]pyridine;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine
CID 157551389
5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;tris(2H-pyrrolo[2,3-c]pyridine);tris(2H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
CID 157569274
3,6-dimethyl-5H-cyclopenta[b]pyridine;2,5-dimethylfuro[2,3-b]pyridine;2,6-dimethylfuro[3,2-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,5-dimethylpyrazolo[3,4-b]pyridine;2,6-dimethylpyrazolo[4,3-b]pyridine;2,5-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,5-dimethyl-3H-pyrrolo[2,3-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[5,4-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,6-dimethylthieno[3,2-b]pyridine;2,6-dimethyltriazolo[4,5-b]pyridine
CID 157614101

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine (CID 141087438) is 2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine is c1cc2[nH]c(-n3nc(-c4nc5cncnc5o4)c(-c4onc5cncnc45)c3-c3nc4cncnc4s3)ncc-2n1.
What is the InChIKey of 2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The InChIKey is LYZYZXBATAKIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10N14O2S/c1-2-28-11-6-29-24(35-10(1)11)38-18(23-34-14-5-27-9-32-22(14)41-23)15(19-16-12(37-40-19)3-25-7-30-16)17(36-38)21-33-13-4-26-8-31-20(13)39-21/h1-9H,(H,29,35).
What are the key properties of 2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine has a molecular weight of 558.51 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 141087438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).