5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane

C34H31Br2F2N5O2 — CID 158656638

IUPAC5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane
SMILESCCOC(C)OCC.Fc1cccc2c1cc1c3cc(Br)cnc3ncn21.Nc1ncc(Br)cc1C1=Cc2c(F)cccc2C1
InChIInChI=1S/C14H7BrFN3.C14H10BrFN2.C6H14O2/c15-8-4-10-13-5-9-11(16)2-1-3-12(9)19(13)7-18-14(10)17-6-8;15-10-6-12(14(17)18-7-10)9-4-8-2-1-3-13(16)11(8)5-9;1-4-7-6(3)8-5-2/h1-7H;1-3,5-7H,4H2,(H2,17,18);6H,4-5H2,1-3H3
InChIKeyICFJDHQQPFGICM-UHFFFAOYSA-N
MW739.46 g/mol
LogP9.00
Rot. Bonds5

About 5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane

5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane (PubChem CID 158656638) has the molecular formula C34H31Br2F2N5O2 and a molecular weight of 739.46 g/mol. Its IUPAC name is 5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane.

Molecular Properties

Compound Name5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane
PubChem CID158656638
Molecular FormulaC34H31Br2F2N5O2
Molecular Weight739.46 g/mol
Exact Mass737.08
IUPAC Name5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane
SMILESCCOC(C)OCC.Fc1cccc2c1cc1c3cc(Br)cnc3ncn21.Nc1ncc(Br)cc1C1=Cc2c(F)cccc2C1
InChIInChI=1S/C14H7BrFN3.C14H10BrFN2.C6H14O2/c15-8-4-10-13-5-9-11(16)2-1-3-12(9)19(13)7-18-14(10)17-6-8;15-10-6-12(14(17)18-7-10)9-4-8-2-1-3-13(16)11(8)5-9;1-4-7-6(3)8-5-2/h1-7H;1-3,5-7H,4H2,(H2,17,18);6H,4-5H2,1-3H3
InChIKeyICFJDHQQPFGICM-UHFFFAOYSA-N
XLogP9.00
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.46
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane with MolForge

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Related Compounds

5-(3-Bromo-phenyl)-7-[6-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-pyridin-3-yl]-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10391910
7-Fluoro-2-[[5-fluoro-2-(2-morpholin-4-yl-4-pyridinyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine
CID 138689580
methyl N-[2-(4-amino-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(2-bromo-4-fluorophenyl)ethyl]carbamate
CID 162434199
7-[2-(2-Bromo-4-fluorophenyl)-2-methyliminoethyl]-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 162434202
tert-butyl N-[2-(4-amino-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(2-bromo-4-fluorophenyl)ethyl]-N-methylcarbamate
CID 166941734
5-(2-Bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 57015629
5-[1-(2-Bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 71225853
5-(3-Bromophenyl)-7-[6-[4-(1-methoxyethoxyimino)piperidin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 88263118
5-Bromo-7-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine;5-[3-[(3,5-difluorophenyl)methyl]-8-fluoroisoquinolin-7-yl]-7-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 157058697
2-Bromo-1,1-dimethoxyethane;3,5-dibromo-6-(8-fluoroquinolin-6-yl)pyrazin-2-amine;6-(6,8-dibromoimidazo[1,2-a]pyrazin-5-yl)-8-fluoroquinoline
CID 157894896
6-chloro-4-(4-fluoro-1H-inden-2-yl)pyridin-3-amine;4-chloro-15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene;diethoxymethoxyethane
CID 160154378
2-Bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine
CID 161297796

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane?
The IUPAC name of 5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane (CID 158656638) is 5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane.
What is the SMILES notation for 5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane?
The canonical SMILES for 5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane is CCOC(C)OCC.Fc1cccc2c1cc1c3cc(Br)cnc3ncn21.Nc1ncc(Br)cc1C1=Cc2c(F)cccc2C1.
What is the InChIKey of 5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane?
The InChIKey is ICFJDHQQPFGICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrFN3.C14H10BrFN2.C6H14O2/c15-8-4-10-13-5-9-11(16)2-1-3-12(9)19(13)7-18-14(10)17-6-8;15-10-6-12(14(17)18-7-10)9-4-8-2-1-3-13(16)11(8)5-9;1-4-7-6(3)8-5-2/h1-7H;1-3,5-7H,4H2,(H2,17,18);6H,4-5H2,1-3H3.
What are the key properties of 5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane?
5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane has a molecular weight of 739.46 g/mol, XLogP of 9.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane is sourced from PubChem (CID 158656638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).