2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole

C34H20N12OS — CID 141050919

IUPAC2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole
SMILESc1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c3c(c2-c2ncccn2)c(-c2cnccn2)c(-c2cccnn2)n3-c2ncco2)nc1
InChIInChI=1S/C34H20N12OS/c1-2-7-36-20(5-1)23-26(31-38-8-4-9-39-31)25-24(22-19-35-11-12-37-22)29(21-6-3-10-44-45-21)46(34-43-15-17-47-34)30(25)28(33-42-16-18-48-33)27(23)32-40-13-14-41-32/h1-19H,(H,40,41)
InChIKeyDEAXKCISQRPWFA-UHFFFAOYSA-N
MW644.68 g/mol
LogP6.57
Rot. Bonds7

About 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole

2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole (PubChem CID 141050919) has the molecular formula C34H20N12OS and a molecular weight of 644.68 g/mol. Its IUPAC name is 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole
PubChem CID141050919
Molecular FormulaC34H20N12OS
Molecular Weight644.68 g/mol
Exact Mass644.16
IUPAC Name2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole
SMILESc1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c3c(c2-c2ncccn2)c(-c2cnccn2)c(-c2cccnn2)n3-c2ncco2)nc1
InChIInChI=1S/C34H20N12OS/c1-2-7-36-20(5-1)23-26(31-38-8-4-9-39-31)25-24(22-19-35-11-12-37-22)29(21-6-3-10-44-45-21)46(34-43-15-17-47-34)30(25)28(33-42-16-18-48-33)27(23)32-40-13-14-41-32/h1-19H,(H,40,41)
InChIKeyDEAXKCISQRPWFA-UHFFFAOYSA-N
XLogP6.57
TPSA162.76 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500644.68
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole with MolForge

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Related Compounds

2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole
CID 141121732
2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole
CID 141144443
acridine;1H-imidazole;isoquinoline;1,3-oxazole;phenazine;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;quinoline;quinoxaline;thiophene
CID 157082421
3-methylpyridine;2-(2,3,3-trimethylbutan-2-yl)-1H-imidazole;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;2-(2,3,3-trimethylbutan-2-yl)pyrazine;3-(2,3,3-trimethylbutan-2-yl)pyridazine;4-(2,3,3-trimethylbutan-2-yl)pyridazine;2-(2,3,3-trimethylbutan-2-yl)pyridine;4-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,3,3-trimethylbutan-2-yl)pyrimidine;4-(2,3,3-trimethylbutan-2-yl)pyrimidine;2-(2,3,3-trimethylbutan-2-yl)-1,3-thiazole
CID 157170447
3,5-dimethylpyridin-2-amine;4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;5-methyl-1H-imidazol-2-amine;4-methyl-1H-indazole;5-methyl-1H-indazole;3-methyl-1,2,4-oxadiazol-5-amine;4-methyl-1,3-oxazol-2-amine;5-methyl-1,3-oxazol-2-amine;5-methyl-1H-pyrazol-3-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;4-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 157196924
bis(2,6-dimethyl-1H-benzimidazole);bis(2,7-dimethyl-3H-benzo[e]benzimidazole);2,7-dimethyl-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-3H-imidazo[4,5-b]pyrazine);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-3H-imidazo[4,5-c]pyridine);tris(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(2,8-dimethyl-7H-purine);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-1H-imidazole
CID 157379391
tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;2H-pyrrole;3H-pyrrolo[3,2-b]pyridine;bis(7H-pyrrolo[3,4-d]pyrimidine);1,3-thiazole
CID 157417324
1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole
CID 157457971
1H-benzimidazole;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;1H-imidazole;isoquinoline;1,3-oxazole;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole
CID 157564355
2,9-dimethyl-1,10-phenanthroline;2,5-dimethyl-1-propan-2-ylpyrrole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methyl-1,10-phenanthroline;pentakis(2-methylpropane);1-methyl-2-propan-2-ylisoindole;2-methyl-1-propan-2-ylpyrrole;2-methyl-1,3-thiazole
CID 157655573
tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;2H-pyrrole;bis(7H-pyrrolo[3,4-d]pyrimidine);1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine
CID 157726544
3,5-dimethylpyridin-2-amine;4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;5-methyl-1H-imidazol-2-amine;4-methyl-1H-indazole;5-methyl-1H-indazole;3-methyl-1,2,4-oxadiazol-5-amine;4-methyl-1,3-oxazol-2-amine;5-methyl-1,3-oxazol-2-amine;5-methyl-1H-pyrazol-3-amine;4-methyl-1H-pyrazolo[3,4-b]pyridine;4-methyl-1H-pyrazolo[4,5-c]pyridine;4-methyl-1H-pyrazolo[5,4-c]pyridine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;4-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 157889030

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole?
The IUPAC name of 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole (CID 141050919) is 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole is c1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c3c(c2-c2ncccn2)c(-c2cnccn2)c(-c2cccnn2)n3-c2ncco2)nc1.
What is the InChIKey of 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole?
The InChIKey is DEAXKCISQRPWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N12OS/c1-2-7-36-20(5-1)23-26(31-38-8-4-9-39-31)25-24(22-19-35-11-12-37-22)29(21-6-3-10-44-45-21)46(34-43-15-17-47-34)30(25)28(33-42-16-18-48-33)27(23)32-40-13-14-41-32/h1-19H,(H,40,41).
What are the key properties of 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole?
2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole has a molecular weight of 644.68 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole is sourced from PubChem (CID 141050919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).