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

C45H35N11O2S2 — CID 159033393

IUPACbenzene;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
SMILESc1ccccc1.c1cnc2[nH]ccc2c1.c1cnc2nc[nH]c2c1.c1cnc2occc2c1.c1cnc2ocnc2c1.c1cnc2sccc2c1.c1cnc2scnc2c1
InChIInChI=1S/C7H6N2.C7H5NO.C7H5NS.C6H5N3.C6H4N2O.C6H4N2S.C6H6/c3*1-2-6-3-5-9-7(6)8-4-1;3*1-2-5-6(7-3-1)9-4-8-5;1-2-4-6-5-3-1/h1-5H,(H,8,9);2*1-5H;1-4H,(H,7,8,9);2*1-4H;1-6H
InChIKeyJVDXGNXKPNURQH-UHFFFAOYSA-N
MW825.98 g/mol
LogP11.25
Rot. Bonds

About 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

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 (PubChem CID 159033393) has the molecular formula C45H35N11O2S2 and a molecular weight of 825.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzene;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
PubChem CID159033393
Molecular FormulaC45H35N11O2S2
Molecular Weight825.98 g/mol
Exact Mass825.24
IUPAC Namebenzene;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
SMILESc1ccccc1.c1cnc2[nH]ccc2c1.c1cnc2nc[nH]c2c1.c1cnc2occc2c1.c1cnc2ocnc2c1.c1cnc2sccc2c1.c1cnc2scnc2c1
InChIInChI=1S/C7H6N2.C7H5NO.C7H5NS.C6H5N3.C6H4N2O.C6H4N2S.C6H6/c3*1-2-6-3-5-9-7(6)8-4-1;3*1-2-5-6(7-3-1)9-4-8-5;1-2-4-6-5-3-1/h1-5H,(H,8,9);2*1-5H;1-4H,(H,7,8,9);2*1-4H;1-6H
InChIKeyJVDXGNXKPNURQH-UHFFFAOYSA-N
XLogP11.25
TPSA173.87 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500825.98
LogP ≤ 511.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal
CID 159380635
8-(cyclobutylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-[2-[2-(trifluoromethyl)phenyl]ethyl]-7H-purin-6-amine
CID 159507027
2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
CID 160248012
6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine;6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
CID 160676374
8-but-2-ynoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(2-cyclopropylethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(2-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-pent-3-ynoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
CID 160987966
1-[5-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-yl]-1-[[5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-thiazol-2-yl]-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoyl]amino]-3-[4-methyl-2-(2-methylpropoxy)phenyl]urea
CID 67488014
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
1-[5-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-yl]-3-[4-methyl-2-(2-methylpropoxy)phenyl]urea;1-[5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-thiazol-2-yl]-3-[4-methyl-2-(2-methylpropoxy)phenyl]urea
CID 87418994
2-(2-methyl-4-pyridinyl)-N-[2-(3-phenylmethoxypiperidin-1-yl)-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 118224162
4-[5-[3-[2-[4-[3-[3-[3-(1H-imidazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]furan-2-yl]-1,3-thiazol-2-yl]piperazin-1-yl]oxan-2-yl]-2-piperidin-1-yl-2-(1,3-thiazolidin-2-yl)pyrrolidin-3-yl]-3-(2-quinazolin-2-yl-1,3-oxazolidin-2-yl)morpholine
CID 123776950
2-(2-methyl-4-pyridinyl)-N-[2-morpholin-4-yl-5-(4-morpholin-4-ylcyclohexyl)oxy-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 124196622
2-(2-methyl-4-pyridinyl)-N-(2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
CID 124196785

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccccc1.c1cnc2[nH]ccc2c1.c1cnc2nc[nH]c2c1.c1cnc2occc2c1.c1cnc2ocnc2c1.c1cnc2sccc2c1.c1cnc2scnc2c1.
What is the InChIKey of 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?
The InChIKey is JVDXGNXKPNURQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C7H5NO.C7H5NS.C6H5N3.C6H4N2O.C6H4N2S.C6H6/c3*1-2-6-3-5-9-7(6)8-4-1;3*1-2-5-6(7-3-1)9-4-8-5;1-2-4-6-5-3-1/h1-5H,(H,8,9);2*1-5H;1-4H,(H,7,8,9);2*1-4H;1-6H.
What are the key properties of 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?
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 has a molecular weight of 825.98 g/mol, XLogP of 11.25, 0 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159033393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).