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

C41H25N13OS2 — CID 140977162

IUPAC3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole
SMILESc1ccc(-c2c(-c3cnccn3)c(-c3ncccn3)c(-c3cccnn3)c3c2N(c2ccsn2)N(c2nccs2)C3(c2ccon2)c2cc3ccccc3[nH]2)nc1
InChIInChI=1S/C41H25N13OS2/c1-2-8-26-25(7-1)23-31(49-26)41(30-11-20-55-51-30)37-34(28-10-5-16-48-50-28)36(39-45-14-6-15-46-39)33(29-24-42-17-18-44-29)35(27-9-3-4-13-43-27)38(37)53(32-12-21-57-52-32)54(41)40-47-19-22-56-40/h1-24,49H
InChIKeyCZDHUEWVKXZAFP-UHFFFAOYSA-N
MW779.88 g/mol
LogP8.37
Rot. Bonds8

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

3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole (PubChem CID 140977162) has the molecular formula C41H25N13OS2 and a molecular weight of 779.88 g/mol. Its IUPAC name is 3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole
PubChem CID140977162
Molecular FormulaC41H25N13OS2
Molecular Weight779.88 g/mol
Exact Mass779.17
IUPAC Name3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole
SMILESc1ccc(-c2c(-c3cnccn3)c(-c3ncccn3)c(-c3cccnn3)c3c2N(c2ccsn2)N(c2nccs2)C3(c2ccon2)c2cc3ccccc3[nH]2)nc1
InChIInChI=1S/C41H25N13OS2/c1-2-8-26-25(7-1)23-31(49-26)41(30-11-20-55-51-30)37-34(28-10-5-16-48-50-28)36(39-45-14-6-15-46-39)33(29-24-42-17-18-44-29)35(27-9-3-4-13-43-27)38(37)53(32-12-21-57-52-32)54(41)40-47-19-22-56-40/h1-24,49H
InChIKeyCZDHUEWVKXZAFP-UHFFFAOYSA-N
XLogP8.37
TPSA164.31 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500779.88
LogP ≤ 58.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

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

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Related Compounds

3-[7-isoquinolin-1-yl-6-(1H-pyrazol-3-yl)-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-benzotriazol-4-yl]-1,2-oxazole
CID 140997320
3-[6-(1H-imidazol-2-yl)-5-(1H-pyrazol-3-yl)-1-quinolin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)isoquinolin-7-yl]-1,2-oxazole
CID 141008274
3-[2-cinnolin-3-yl-6-(1H-indazol-3-yl)-4-pyridazin-3-yl-1-(1H-pyrrol-2-yl)-5,7-bis(1,3-thiazol-2-yl)-2H-quinazolin-8-yl]-1,2-oxazole
CID 141064198
3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole
CID 141069864
3-[6-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-7-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1H-benzimidazol-4-yl]-1,2-oxazole
CID 141223555
bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole);2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;bis(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole)
CID 158400650
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole
CID 159085359
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;bis(4-tert-butyl-1H-indole);5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine
CID 159389867
bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;bis(5,6-di(propan-2-yl)-2,1-benzoxazole);bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;5,6-di(propan-2-yl)-1H-isoindole;2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole);2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;bis(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole)
CID 160226223
bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole)
CID 160862389

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole?
The IUPAC name of 3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole (CID 140977162) is 3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole?
The canonical SMILES for 3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole is c1ccc(-c2c(-c3cnccn3)c(-c3ncccn3)c(-c3cccnn3)c3c2N(c2ccsn2)N(c2nccs2)C3(c2ccon2)c2cc3ccccc3[nH]2)nc1.
What is the InChIKey of 3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole?
The InChIKey is CZDHUEWVKXZAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N13OS2/c1-2-8-26-25(7-1)23-31(49-26)41(30-11-20-55-51-30)37-34(28-10-5-16-48-50-28)36(39-45-14-6-15-46-39)33(29-24-42-17-18-44-29)35(27-9-3-4-13-43-27)38(37)53(32-12-21-57-52-32)54(41)40-47-19-22-56-40/h1-24,49H.
What are the key properties of 3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole?
3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole has a molecular weight of 779.88 g/mol, XLogP of 8.37, 8 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 140977162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).