ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C64H85N9O7 — CID 161037365

IUPACethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCC.CC.CC.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cnc2c(c1)CC(=O)N2.CCc1ccc2[nH]ncc2c1.CCc1cnc2[nH]c(=O)oc2c1.CCc1cnc2c(c1)OCC(=O)N2
InChIInChI=1S/C12H16.C10H12N2O.C10H11NO2.C9H10N2O2.C9H10N2.C8H8N2O2.3C2H6/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-2-6-3-7-9(10-4-6)11-8(12)5-13-7;1-2-7-3-4-9-8(5-7)6-10-11-9;1-2-5-3-6-7(9-4-5)10-8(11)12-6;3*1-2/h6-9H,3-5H2,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H,11,12);3-4H,2,5H2,1H3,(H,10,11,12);3-6H,2H2,1H3,(H,10,11);3-4H,2H2,1H3,(H,9,10,11);3*1-2H3
InChIKeyUAKUEQAVGBTJID-UHFFFAOYSA-N
MW1092.44 g/mol
LogP14.50
Rot. Bonds6

About ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 161037365) has the molecular formula C64H85N9O7 and a molecular weight of 1092.44 g/mol. Its IUPAC name is ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Nameethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID161037365
Molecular FormulaC64H85N9O7
Molecular Weight1092.44 g/mol
Exact Mass1091.66
IUPAC Nameethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCC.CC.CC.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cnc2c(c1)CC(=O)N2.CCc1ccc2[nH]ncc2c1.CCc1cnc2[nH]c(=O)oc2c1.CCc1cnc2c(c1)OCC(=O)N2
InChIInChI=1S/C12H16.C10H12N2O.C10H11NO2.C9H10N2O2.C9H10N2.C8H8N2O2.3C2H6/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-2-6-3-7-9(10-4-6)11-8(12)5-13-7;1-2-7-3-4-9-8(5-7)6-10-11-9;1-2-5-3-6-7(9-4-5)10-8(11)12-6;3*1-2/h6-9H,3-5H2,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H,11,12);3-4H,2,5H2,1H3,(H,10,11,12);3-6H,2H2,1H3,(H,10,11);3-4H,2H2,1H3,(H,9,10,11);3*1-2H3
InChIKeyUAKUEQAVGBTJID-UHFFFAOYSA-N
XLogP14.50
TPSA226.78 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001092.44
LogP ≤ 514.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one with MolForge

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Related Compounds

tert-butyl (1S,4S)-5-[6-cyclopropyl-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-[(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]phenyl]methoxy]-2-[(2-propan-2-yl-3-pyridinyl)methoxy]quinazolin-4-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 171470192
tert-butyl (1S,4S)-5-[6-cyclopropyl-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-[(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]phenyl]methoxy]-2-[[(5R)-5,6,7,8-tetrahydroisoquinolin-5-yl]oxy]quinazolin-4-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 171470220
2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 145252388
6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 157105806
4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 157890066
4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 158137820
trans-(1R,2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 158138932
4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 158877856
6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 159119366
6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 159248715
4-[4-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylbenzamide;N-cyclohexyl-3-isoquinolin-4-yl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 159811666
8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 159923096

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 161037365) is ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is CC.CC.CC.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cnc2c(c1)CC(=O)N2.CCc1ccc2[nH]ncc2c1.CCc1cnc2[nH]c(=O)oc2c1.CCc1cnc2c(c1)OCC(=O)N2.
What is the InChIKey of ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is UAKUEQAVGBTJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C10H12N2O.C10H11NO2.C9H10N2O2.C9H10N2.C8H8N2O2.3C2H6/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-2-6-3-7-9(10-4-6)11-8(12)5-13-7;1-2-7-3-4-9-8(5-7)6-10-11-9;1-2-5-3-6-7(9-4-5)10-8(11)12-6;3*1-2/h6-9H,3-5H2,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H,11,12);3-4H,2,5H2,1H3,(H,10,11,12);3-6H,2H2,1H3,(H,10,11);3-4H,2H2,1H3,(H,9,10,11);3*1-2H3.
What are the key properties of ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 1092.44 g/mol, XLogP of 14.50, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1H-indazole;6-ethyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;7-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 161037365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).