2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole

C36H25N9O2S — CID 140995926

IUPAC2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole
SMILESc1ccc(N2C(c3cnccn3)=C(c3ncco3)C(c3nccs3)N(c3ccco3)C2(c2ccc3ccccc3n2)c2ccc[nH]2)nc1
InChIInChI=1S/C36H25N9O2S/c1-2-8-25-24(7-1)12-13-28(43-25)36(27-9-5-15-39-27)44(29-10-3-4-14-40-29)32(26-23-37-16-17-38-26)31(34-41-18-21-47-34)33(35-42-19-22-48-35)45(36)30-11-6-20-46-30/h1-23,33,39H
InChIKeyAXCLUYNYSZDEEY-UHFFFAOYSA-N
MW647.72 g/mol
LogP7.32
Rot. Bonds7

About 2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole

2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole (PubChem CID 140995926) has the molecular formula C36H25N9O2S and a molecular weight of 647.72 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole
PubChem CID140995926
Molecular FormulaC36H25N9O2S
Molecular Weight647.72 g/mol
Exact Mass647.19
IUPAC Name2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole
SMILESc1ccc(N2C(c3cnccn3)=C(c3ncco3)C(c3nccs3)N(c3ccco3)C2(c2ccc3ccccc3n2)c2ccc[nH]2)nc1
InChIInChI=1S/C36H25N9O2S/c1-2-8-25-24(7-1)12-13-28(43-25)36(27-9-5-15-39-27)44(29-10-3-4-14-40-29)32(26-23-37-16-17-38-26)31(34-41-18-21-47-34)33(35-42-19-22-48-35)45(36)30-11-6-20-46-30/h1-23,33,39H
InChIKeyAXCLUYNYSZDEEY-UHFFFAOYSA-N
XLogP7.32
TPSA125.89 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500647.72
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole with MolForge

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Related Compounds

US12331044, Example 42
CID 155924222
2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole;N-(pyridin-4-ylmethyl)-2-[8-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 67992269
2-[(1S)-1-[4-[2-(dimethylamino)ethylamino]-5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide
CID 132053281
2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-pyridin-2-yl-6-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperazin-2-yl]-1,3-oxazole
CID 141284523
2-[3-(1H-benzimidazol-2-yl)-2-(furan-2-yl)-3-piperazin-1-yl-5-(2H-pyran-2-yl)-1-thiophen-2-ylpyrazol-4-yl]-1,8-naphthyridine
CID 141287356
1H-benzimidazole;1,3-benzothiazole;furan;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,3-thiazole;thiophene
CID 157251765
benzene;furo[2,3-b]pyridine;1H-imidazo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine
CID 159033393
1H-benzimidazole;1,3-benzothiazole;furan;methane;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,3-thiazole;thiophene
CID 159071181
benzene;cyclohexene;cyclopentane;cyclopentene;ethane;furan;1H-imidazole;hexadecakis(2-methylhexane);morpholine;piperazine;piperidine;propan-1-amine;pyridine;pyrrolidine;quinoline;1,3-thiazole;thiophene
CID 159335898
3-(2,2-dimethylpropyl)furan;4-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;5-(2,2-dimethylpropyl)-1,3-thiazole;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrrolidine;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)quinoline;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene
CID 159493591
8,9-Dimethyl-2,6-di(propan-2-yl)purine;2,4-di(propan-2-yl)furo[2,3-d]pyrimidine;2,4-di(propan-2-yl)pteridine;2,4-di(propan-2-yl)quinazoline;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;ethane;2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine;7-methyl-2,4-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;2-methyl-5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine
CID 159587109
4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene
CID 160485659

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole?
The IUPAC name of 2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole (CID 140995926) is 2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole is c1ccc(N2C(c3cnccn3)=C(c3ncco3)C(c3nccs3)N(c3ccco3)C2(c2ccc3ccccc3n2)c2ccc[nH]2)nc1.
What is the InChIKey of 2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole?
The InChIKey is AXCLUYNYSZDEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N9O2S/c1-2-8-25-24(7-1)12-13-28(43-25)36(27-9-5-15-39-27)44(29-10-3-4-14-40-29)32(26-23-37-16-17-38-26)31(34-41-18-21-47-34)33(35-42-19-22-48-35)45(36)30-11-6-20-46-30/h1-23,33,39H.
What are the key properties of 2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole?
2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole has a molecular weight of 647.72 g/mol, XLogP of 7.32, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-6-pyrazin-2-yl-1-pyridin-2-yl-2-(1H-pyrrol-2-yl)-2-quinolin-2-yl-4-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]-1,3-oxazole is sourced from PubChem (CID 140995926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).