2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine

C40H20N10OS2 — CID 141175682

IUPAC2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1ccc2nc(-c3c(-c4ncc5ncccc5n4)c(-c4nccs4)c4nc(-c5nc6cccnc6o5)sc4c3-c3ccc4ncccc4n3)ccc2c1
InChIInChI=1S/C40H20N10OS2/c1-2-7-22-21(6-1)11-12-26(46-22)30-31(27-14-13-23-24(47-27)8-3-15-41-23)35-34(50-40(53-35)38-49-28-10-5-17-43-37(28)51-38)33(39-44-18-19-52-39)32(30)36-45-20-29-25(48-36)9-4-16-42-29/h1-20H
InChIKeyHUAOPJPMDCLSMA-UHFFFAOYSA-N
MW720.80 g/mol
LogP9.45
Rot. Bonds5

About 2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine

2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 141175682) has the molecular formula C40H20N10OS2 and a molecular weight of 720.80 g/mol. Its IUPAC name is 2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID141175682
Molecular FormulaC40H20N10OS2
Molecular Weight720.80 g/mol
Exact Mass720.13
IUPAC Name2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1ccc2nc(-c3c(-c4ncc5ncccc5n4)c(-c4nccs4)c4nc(-c5nc6cccnc6o5)sc4c3-c3ccc4ncccc4n3)ccc2c1
InChIInChI=1S/C40H20N10OS2/c1-2-7-22-21(6-1)11-12-26(46-22)30-31(27-14-13-23-24(47-27)8-3-15-41-23)35-34(50-40(53-35)38-49-28-10-5-17-43-37(28)51-38)33(39-44-18-19-52-39)32(30)36-45-20-29-25(48-36)9-4-16-42-29/h1-20H
InChIKeyHUAOPJPMDCLSMA-UHFFFAOYSA-N
XLogP9.45
TPSA142.04 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500720.80
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine with MolForge

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Related Compounds

2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;2-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]-3-phenylbenzimidazole-5-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 162122198
2-[5-(1,3-benzothiazol-2-yl)-7-(1H-indol-2-yl)-2-isoquinolin-1-yl-3-quinazolin-2-yl-8-quinolin-2-ylquinoxalin-6-yl]-1,3-benzoxazole
CID 140983497
2-[7-(1H-benzimidazol-2-yl)-6-(1,3-benzothiazol-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-ylquinazolin-5-yl]-1,3-benzoxazole
CID 141050935
2-[4-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-7-pyrazin-2-yl-6-pyridin-2-yl-5-pyrimidin-2-ylquinolin-2-yl]-1,3-benzoxazole
CID 141055142
2-[7-(1,3-benzothiazol-2-yl)-4-isoquinolin-1-yl-8-(1H-pyrrol-2-yl)-5-quinolin-2-yl-2-quinoxalin-2-ylquinazolin-6-yl]-1,3-benzoxazole
CID 141055149
2-[8-(1,3-Benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinazolin-2-yl-6-thiophen-2-ylquinoxalin-2-yl]-1,3-benzoxazole
CID 141223352
2-[8-(1,3-Benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinazolin-2-ylquinoxalin-2-yl]-1,3-benzoxazole
CID 141223354
2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine
CID 141377640
2-[4-(1,3-Benzothiazol-2-yl)-6-pyrazin-2-yl-7-pyridin-2-yl-5-pyrimidin-2-ylcinnolin-3-yl]-1,3-benzoxazole
CID 141382634

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine (CID 141175682) is 2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine is c1ccc2nc(-c3c(-c4ncc5ncccc5n4)c(-c4nccs4)c4nc(-c5nc6cccnc6o5)sc4c3-c3ccc4ncccc4n3)ccc2c1.
What is the InChIKey of 2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is HUAOPJPMDCLSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H20N10OS2/c1-2-7-22-21(6-1)11-12-26(46-22)30-31(27-14-13-23-24(47-27)8-3-15-41-23)35-34(50-40(53-35)38-49-28-10-5-17-43-37(28)51-38)33(39-44-18-19-52-39)32(30)36-45-20-29-25(48-36)9-4-16-42-29/h1-20H.
What are the key properties of 2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine?
2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 720.80 g/mol, XLogP of 9.45, 5 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1,5-naphthyridin-2-yl)-5-pyrido[3,2-d]pyrimidin-2-yl-6-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 141175682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).