bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C102H137B3Br2F3N14O6P — CID 160672899

IUPACbis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1cc(C(C)C)cc(C(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Fc1ncc(C2CC3CCC2N3)cc1Br.Nc1cc(-c2cc(C3CC4CCC3N4)cnc2F)ccn1.Nc1cc(-c2cc(C3CC4CCC3N4)cnc2F)ccn1.Nc1cc(Br)ccn1
InChIInChI=1S/C31H45P.2C16H17FN4.C12H24B2O4.C11H17BN2O2.C11H12BrFN2.C5H5BrN2/c1-22(2)25-20-24(5)31(29(21-25)23(3)4)28-18-12-13-19-30(28)32(26-14-8-6-9-15-26)27-16-10-7-11-17-27;2*17-16-13(9-3-4-19-15(18)6-9)5-10(8-20-16)12-7-11-1-2-14(12)21-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;12-9-3-6(5-14-11(9)13)8-4-7-1-2-10(8)15-7;6-4-1-2-8-5(7)3-4/h12-13,18-23,26-27H,6-11,14-17H2,1-5H3;2*3-6,8,11-12,14,21H,1-2,7H2,(H2,18,19);1-8H3;5-7H,1-4H3,(H2,13,14);3,5,7-8,10,15H,1-2,4H2;1-3H,(H2,7,8)
InChIKeyRNDUGOBDRLWYOE-UHFFFAOYSA-N
MW1935.52 g/mol
LogP21.86
Rot. Bonds13

About bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 160672899) has the molecular formula C102H137B3Br2F3N14O6P and a molecular weight of 1935.52 g/mol. Its IUPAC name is bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Namebis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID160672899
Molecular FormulaC102H137B3Br2F3N14O6P
Molecular Weight1935.52 g/mol
Exact Mass1932.92
IUPAC Namebis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1cc(C(C)C)cc(C(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Fc1ncc(C2CC3CCC2N3)cc1Br.Nc1cc(-c2cc(C3CC4CCC3N4)cnc2F)ccn1.Nc1cc(-c2cc(C3CC4CCC3N4)cnc2F)ccn1.Nc1cc(Br)ccn1
InChIInChI=1S/C31H45P.2C16H17FN4.C12H24B2O4.C11H17BN2O2.C11H12BrFN2.C5H5BrN2/c1-22(2)25-20-24(5)31(29(21-25)23(3)4)28-18-12-13-19-30(28)32(26-14-8-6-9-15-26)27-16-10-7-11-17-27;2*17-16-13(9-3-4-19-15(18)6-9)5-10(8-20-16)12-7-11-1-2-14(12)21-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;12-9-3-6(5-14-11(9)13)8-4-7-1-2-10(8)15-7;6-4-1-2-8-5(7)3-4/h12-13,18-23,26-27H,6-11,14-17H2,1-5H3;2*3-6,8,11-12,14,21H,1-2,7H2,(H2,18,19);1-8H3;5-7H,1-4H3,(H2,13,14);3,5,7-8,10,15H,1-2,4H2;1-3H,(H2,7,8)
InChIKeyRNDUGOBDRLWYOE-UHFFFAOYSA-N
XLogP21.86
TPSA285.78 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001935.52
LogP ≤ 521.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Launch Full Analysis

Related Compounds

3-Bromo-5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine;bis(2-[6-fluoro-5-(6-methyl-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane);bis(2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);bis(1-hydroperoxyperoxybut-2-yne);5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-(6-methyl-3-pyridinyl)pyridin-2-amine;5-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-4-ylpyridin-2-amine
CID 157454568
2-(5-Bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;tert-butyl 2-(6-amino-5-bromo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate;tert-butyl 2-(6-amino-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate;tert-butyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate;tert-butyl 2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate;tert-butyl 2-[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane-7-carboxylate;5-iodopyridin-2-amine
CID 159136657
5-(2-Bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159810586
Bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;bis(tert-butyl 2-[5-(2-amino-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane-7-carboxylate);tert-butyl 2-(5-bromo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate;bis(tert-butyl 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane-7-carboxylate);methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160007570
Bis(5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 160920763
4-Bromopyridin-2-amine;bis(tert-butyl 2-[5-(2-amino-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane-7-carboxylate);tert-butyl 2-(5-bromo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate;bis(tert-butyl 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane-7-carboxylate);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161732372

Frequently Asked Questions

What is the IUPAC name of bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 160672899) is bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1cc(C(C)C)cc(C(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Fc1ncc(C2CC3CCC2N3)cc1Br.Nc1cc(-c2cc(C3CC4CCC3N4)cnc2F)ccn1.Nc1cc(-c2cc(C3CC4CCC3N4)cnc2F)ccn1.Nc1cc(Br)ccn1.
What is the InChIKey of bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is RNDUGOBDRLWYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45P.2C16H17FN4.C12H24B2O4.C11H17BN2O2.C11H12BrFN2.C5H5BrN2/c1-22(2)25-20-24(5)31(29(21-25)23(3)4)28-18-12-13-19-30(28)32(26-14-8-6-9-15-26)27-16-10-7-11-17-27;2*17-16-13(9-3-4-19-15(18)6-9)5-10(8-20-16)12-7-11-1-2-14(12)21-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;12-9-3-6(5-14-11(9)13)8-4-7-1-2-10(8)15-7;6-4-1-2-8-5(7)3-4/h12-13,18-23,26-27H,6-11,14-17H2,1-5H3;2*3-6,8,11-12,14,21H,1-2,7H2,(H2,18,19);1-8H3;5-7H,1-4H3,(H2,13,14);3,5,7-8,10,15H,1-2,4H2;1-3H,(H2,7,8).
What are the key properties of bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1935.52 g/mol, XLogP of 21.86, 13 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 160672899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).