[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C60H61Br2F4N13O5 — CID 158116513

IUPAC[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ccc(Br)cn1)C2.COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(Br)cn1)C2.O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1cc(C(F)(F)F)ccn1)C2
InChIInChI=1S/C21H19F3N6O.C20H23BrN4O2.C19H19BrFN3O2/c22-21(23,24)13-7-8-25-19(11-13)28-16-12-14-5-6-18(16)29(14)20(31)15-3-1-2-4-17(15)30-26-9-10-27-30;1-3-27-17-8-4-12(2)23-19(17)20(26)25-14-6-7-16(25)15(10-14)24-18-9-5-13(21)11-22-18;1-26-18-13(3-2-4-14(18)21)19(25)24-12-6-7-16(24)15(9-12)23-17-8-5-11(20)10-22-17/h1-4,7-11,14,16,18H,5-6,12H2,(H,25,28);4-5,8-9,11,14-16H,3,6-7,10H2,1-2H3,(H,22,24);2-5,8,10,12,15-16H,6-7,9H2,1H3,(H,22,23)
InChIKeyFRBOZJDUVIRJNX-UHFFFAOYSA-N
MW1280.03 g/mol
LogP11.19
Rot. Bonds13

About [2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 158116513) has the molecular formula C60H61Br2F4N13O5 and a molecular weight of 1280.03 g/mol. Its IUPAC name is [2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID158116513
Molecular FormulaC60H61Br2F4N13O5
Molecular Weight1280.03 g/mol
Exact Mass1277.32
IUPAC Name[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ccc(Br)cn1)C2.COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(Br)cn1)C2.O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1cc(C(F)(F)F)ccn1)C2
InChIInChI=1S/C21H19F3N6O.C20H23BrN4O2.C19H19BrFN3O2/c22-21(23,24)13-7-8-25-19(11-13)28-16-12-14-5-6-18(16)29(14)20(31)15-3-1-2-4-17(15)30-26-9-10-27-30;1-3-27-17-8-4-12(2)23-19(17)20(26)25-14-6-7-16(25)15(10-14)24-18-9-5-13(21)11-22-18;1-26-18-13(3-2-4-14(18)21)19(25)24-12-6-7-16(24)15(9-12)23-17-8-5-11(20)10-22-17/h1-4,7-11,14,16,18H,5-6,12H2,(H,25,28);4-5,8-9,11,14-16H,3,6-7,10H2,1-2H3,(H,22,24);2-5,8,10,12,15-16H,6-7,9H2,1H3,(H,22,23)
InChIKeyFRBOZJDUVIRJNX-UHFFFAOYSA-N
XLogP11.19
TPSA197.75 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001280.03
LogP ≤ 511.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze [2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

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Related Compounds

(3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 160674959
[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411577
(3-fluoro-2-methoxyphenyl)-[2-(quinoxalin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411991
[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 90445459
[2-[(4,6-dimethylpyrimidin-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90412279
[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[(1S,2R,4R)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 118867981
[(1S,2R,4R)-2-[(5-bromopyrazin-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 90412060
[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-methyl-2-(1,3-oxazol-2-yl)phenyl]methanone
CID 90445375
[(1S,2R,4R)-2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-methyl-2-(1,3-oxazol-2-yl)phenyl]methanone
CID 90412522
[2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159761753
[3-methyl-2-(triazol-2-yl)phenyl]-[(1S,2R,4R)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412280
[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158182765

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of [2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 158116513) is [2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for [2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for [2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ccc(Br)cn1)C2.COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(Br)cn1)C2.O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1cc(C(F)(F)F)ccn1)C2.
What is the InChIKey of [2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is FRBOZJDUVIRJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O.C20H23BrN4O2.C19H19BrFN3O2/c22-21(23,24)13-7-8-25-19(11-13)28-16-12-14-5-6-18(16)29(14)20(31)15-3-1-2-4-17(15)30-26-9-10-27-30;1-3-27-17-8-4-12(2)23-19(17)20(26)25-14-6-7-16(25)15(10-14)24-18-9-5-13(21)11-22-18;1-26-18-13(3-2-4-14(18)21)19(25)24-12-6-7-16(24)15(9-12)23-17-8-5-11(20)10-22-17/h1-4,7-11,14,16,18H,5-6,12H2,(H,25,28);4-5,8-9,11,14-16H,3,6-7,10H2,1-2H3,(H,22,24);2-5,8,10,12,15-16H,6-7,9H2,1H3,(H,22,23).
What are the key properties of [2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 1280.03 g/mol, XLogP of 11.19, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 158116513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).