2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole

C34H21N9O2S — CID 141071927

IUPAC2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole
SMILESc1cnc(-c2nc3cc(N4CCc5ccccc54)c(-c4ccon4)c(-c4ncco4)c3c(-c3nccs3)c2-c2cnccn2)nc1
InChIInChI=1S/C34H21N9O2S/c1-2-5-24-20(4-1)6-14-43(24)25-18-22-27(29(33-39-12-16-44-33)26(25)21-7-15-45-42-21)30(34-40-13-17-46-34)28(23-19-35-10-11-36-23)31(41-22)32-37-8-3-9-38-32/h1-5,7-13,15-19H,6,14H2
InChIKeyGBRXWEKQEDVESH-UHFFFAOYSA-N
MW619.67 g/mol
LogP7.28
Rot. Bonds6

About 2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole

2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole (PubChem CID 141071927) has the molecular formula C34H21N9O2S and a molecular weight of 619.67 g/mol. Its IUPAC name is 2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole
PubChem CID141071927
Molecular FormulaC34H21N9O2S
Molecular Weight619.67 g/mol
Exact Mass619.15
IUPAC Name2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole
SMILESc1cnc(-c2nc3cc(N4CCc5ccccc54)c(-c4ccon4)c(-c4ncco4)c3c(-c3nccs3)c2-c2cnccn2)nc1
InChIInChI=1S/C34H21N9O2S/c1-2-5-24-20(4-1)6-14-43(24)25-18-22-27(29(33-39-12-16-44-33)26(25)21-7-15-45-42-21)30(34-40-13-17-46-34)28(23-19-35-10-11-36-23)31(41-22)32-37-8-3-9-38-32/h1-5,7-13,15-19H,6,14H2
InChIKeyGBRXWEKQEDVESH-UHFFFAOYSA-N
XLogP7.28
TPSA132.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500619.67
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole with MolForge

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Related Compounds

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-[2-isoquinolin-1-yl-7-pyridin-2-yl-6-pyrimidin-2-yl-4-quinolin-2-yl-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)-2H-quinazolin-8-yl]-1,3-oxazole
CID 140994191
2-[7-(furan-2-yl)-1-(1H-indol-2-yl)-3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-ylisoindol-2-yl]-1,3-oxazole
CID 141049907
2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole
CID 141050931
2-[6-(1H-imidazol-2-yl)-3-piperazin-1-yl-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)benzimidazol-4-yl]-1,3-oxazole
CID 141050941
2-[5-(1,3-benzothiazol-2-yl)-3-(1,2-benzoxazol-3-yl)-6-(1H-imidazol-2-yl)-1-quinolin-2-ylisoquinolin-4-yl]-1,3-benzoxazole
CID 141050975
2-[6-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-inden-1-yl)-1-(1,2-oxazol-3-yl)-7-(1H-pyrrol-2-yl)-5-thiophen-2-yl-9H-carbazol-2-yl]-1,3-oxazole
CID 141155828
2-[4-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-(1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)-5-(1,8-naphthyridin-2-yl)-1-(1,2-oxazol-3-yl)-6-quinoxalin-2-yl-3H-indol-7-yl]-1,3-oxazole
CID 141422699
2-[4-(1-Benzofuran-2-yl)-5-indol-1-yl-1-(1,2-oxazol-3-yl)-7-pyridin-2-yl-6-pyrimidin-2-yl-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-1,3-benzoxazole
CID 141445846
2-Tert-butyl-5,6-dimethylfuro[3,2-b]pyridine;3-tert-butyl-5,6-dimethylfuro[3,2-b]pyridine;5-tert-butyl-2,3-dimethylfuro[2,3-b]pyridine;6-tert-butyl-2,3-dimethylfuro[3,2-b]pyridine;6-tert-butyl-3,4-dimethylpyridazine;5-tert-butyl-2,4-dimethylpyrimidine;2-tert-butyl-5,6-dimethylthieno[3,2-b]pyridine;3-tert-butyl-5,6-dimethylthieno[3,2-b]pyridine;5-tert-butyl-2,3-dimethylthieno[2,3-b]pyridine;6-tert-butyl-2,3-dimethylthieno[3,2-b]pyridine;4-tert-butyl-1-methyl-1,2-dihydrophthalazine;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;2-tert-butyl-3,5,6-trimethylpyrazine;3-tert-butyl-2,5,6-trimethylpyridine;3-tert-butyl-2,6,7-trimethylquinoline
CID 157127832
1,3-dimethyl-2-methylidene-6-propan-2-ylimidazo[4,5-c]pyridine;methane;1-methyl-6-propan-2-ylimidazo[4,5-c]pyridine;bis(3-methyl-6-propan-2-ylimidazo[4,5-c]pyridine);2-methyl-3-propan-2-ylisoquinolin-1-one;bis(1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine);5-propan-2-ylfuro[2,3-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;tris(3-propan-2-ylisoquinoline);7-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-ylpyrrolo[1,2-a]pyrazine;3-propan-2-ylpyrrolo[1,2-c]pyrimidine;2-propan-2-ylquinazoline;bis(6-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine);5-propan-2-ylthieno[2,3-c]pyridine;6-propan-2-ylthieno[3,2-c]pyridine;N,N,3-trimethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-amine
CID 157817518
2-[6-(4-Phenylbenzo[h]quinazolin-2-yl)-2-pyridinyl]-1,3-benzothiazole;2-[6-(4-phenylbenzo[h]quinazolin-2-yl)-3-pyridinyl]-1,3-benzothiazole;2-[6-(4-phenylbenzo[h]quinazolin-2-yl)-2-pyridinyl]-1,3-benzoxazole;2-[6-(4-phenylbenzo[h]quinazolin-2-yl)-3-pyridinyl]-1,3-benzoxazole;2-[6-(4-phenylbenzo[h]quinazolin-2-yl)-2-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine;2-[6-(4-phenylbenzo[h]quinazolin-2-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2-(4-phenylbenzo[h]quinazolin-2-yl)pyrimidin-4-yl]-[1,3]oxazolo[5,4-b]pyridine;2-[2-(4-phenylbenzo[h]quinazolin-2-yl)pyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridine
CID 158444672

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole?
The IUPAC name of 2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole (CID 141071927) is 2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole is c1cnc(-c2nc3cc(N4CCc5ccccc54)c(-c4ccon4)c(-c4ncco4)c3c(-c3nccs3)c2-c2cnccn2)nc1.
What is the InChIKey of 2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole?
The InChIKey is GBRXWEKQEDVESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N9O2S/c1-2-5-24-20(4-1)6-14-43(24)25-18-22-27(29(33-39-12-16-44-33)26(25)21-7-15-45-42-21)30(34-40-13-17-46-34)28(23-19-35-10-11-36-23)31(41-22)32-37-8-3-9-38-32/h1-5,7-13,15-19H,6,14H2.
What are the key properties of 2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole?
2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole has a molecular weight of 619.67 g/mol, XLogP of 7.28, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,3-dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole is sourced from PubChem (CID 141071927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).