(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one

C70H73BrCl2F3N15O4 — CID 161050385

IUPAC(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILESCC(=O)Nc1ccc(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.CCC(=O)c1ccc(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.O=C1N[C@H]2CC[C@@H]1CN(c1cc(Br)cc3[nH]ncc13)C2.O=C1N[C@H]2CC[C@@H]1CN(c1cc(C(F)(F)F)cc3[nH]ncc13)C2
InChIInChI=1S/C21H22ClN3O.C20H21ClN4O.C15H15F3N4O.C14H15BrN4O/c1-2-21(26)16-5-3-14(4-6-16)15-7-9-25(10-8-15)20-12-17(22)11-19-18(20)13-23-24-19;1-13(26)23-17-4-2-14(3-5-17)15-6-8-25(9-7-15)20-11-16(21)10-19-18(20)12-22-24-19;16-15(17,18)9-3-12-11(5-19-21-12)13(4-9)22-6-8-1-2-10(7-22)20-14(8)23;15-9-3-12-11(5-16-18-12)13(4-9)19-6-8-1-2-10(7-19)17-14(8)20/h3-6,11-13,15H,2,7-10H2,1H3,(H,23,24);2-5,10-12,15H,6-9H2,1H3,(H,22,24)(H,23,26);3-5,8,10H,1-2,6-7H2,(H,19,21)(H,20,23);3-5,8,10H,1-2,6-7H2,(H,16,18)(H,17,20)/t;;2*8-,10+/m..11/s1
InChIKeyUCBDMGRYDJVWSN-RSUISEAHSA-N
MW1396.26 g/mol
LogP14.09
Rot. Bonds9

About (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one

(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one (PubChem CID 161050385) has the molecular formula C70H73BrCl2F3N15O4 and a molecular weight of 1396.26 g/mol. Its IUPAC name is (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one.

Molecular Properties

Compound Name(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
PubChem CID161050385
Molecular FormulaC70H73BrCl2F3N15O4
Molecular Weight1396.26 g/mol
Exact Mass1393.45
IUPAC Name(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILESCC(=O)Nc1ccc(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.CCC(=O)c1ccc(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.O=C1N[C@H]2CC[C@@H]1CN(c1cc(Br)cc3[nH]ncc13)C2.O=C1N[C@H]2CC[C@@H]1CN(c1cc(C(F)(F)F)cc3[nH]ncc13)C2
InChIInChI=1S/C21H22ClN3O.C20H21ClN4O.C15H15F3N4O.C14H15BrN4O/c1-2-21(26)16-5-3-14(4-6-16)15-7-9-25(10-8-15)20-12-17(22)11-19-18(20)13-23-24-19;1-13(26)23-17-4-2-14(3-5-17)15-6-8-25(9-7-15)20-11-16(21)10-19-18(20)12-22-24-19;16-15(17,18)9-3-12-11(5-19-21-12)13(4-9)22-6-8-1-2-10(7-22)20-14(8)23;15-9-3-12-11(5-16-18-12)13(4-9)19-6-8-1-2-10(7-19)17-14(8)20/h3-6,11-13,15H,2,7-10H2,1H3,(H,23,24);2-5,10-12,15H,6-9H2,1H3,(H,22,24)(H,23,26);3-5,8,10H,1-2,6-7H2,(H,19,21)(H,20,23);3-5,8,10H,1-2,6-7H2,(H,16,18)(H,17,20)/t;;2*8-,10+/m..11/s1
InChIKeyUCBDMGRYDJVWSN-RSUISEAHSA-N
XLogP14.09
TPSA232.05 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001396.26
LogP ≤ 514.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one with MolForge

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Related Compounds

(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 157657150
6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 158651246
(1R,5S)-3-(6-bromo-1H-indol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide;1-[4-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 159375023
(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 161299647
N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 162110041
N-[[2-(6-chloro-1H-indazol-4-yl)-6-methyl-2-azaspiro[3.3]heptan-6-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 162240068

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
The IUPAC name of (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one (CID 161050385) is (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one.
What is the SMILES notation for (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
The canonical SMILES for (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one is CC(=O)Nc1ccc(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.CCC(=O)c1ccc(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.O=C1N[C@H]2CC[C@@H]1CN(c1cc(Br)cc3[nH]ncc13)C2.O=C1N[C@H]2CC[C@@H]1CN(c1cc(C(F)(F)F)cc3[nH]ncc13)C2.
What is the InChIKey of (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
The InChIKey is UCBDMGRYDJVWSN-RSUISEAHSA-N. The full InChI is InChI=1S/C21H22ClN3O.C20H21ClN4O.C15H15F3N4O.C14H15BrN4O/c1-2-21(26)16-5-3-14(4-6-16)15-7-9-25(10-8-15)20-12-17(22)11-19-18(20)13-23-24-19;1-13(26)23-17-4-2-14(3-5-17)15-6-8-25(9-7-15)20-11-16(21)10-19-18(20)12-22-24-19;16-15(17,18)9-3-12-11(5-19-21-12)13(4-9)22-6-8-1-2-10(7-22)20-14(8)23;15-9-3-12-11(5-16-18-12)13(4-9)19-6-8-1-2-10(7-19)17-14(8)20/h3-6,11-13,15H,2,7-10H2,1H3,(H,23,24);2-5,10-12,15H,6-9H2,1H3,(H,22,24)(H,23,26);3-5,8,10H,1-2,6-7H2,(H,19,21)(H,20,23);3-5,8,10H,1-2,6-7H2,(H,16,18)(H,17,20)/t;;2*8-,10+/m..11/s1.
What are the key properties of (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one has a molecular weight of 1396.26 g/mol, XLogP of 14.09, 9 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;1-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]propan-1-one;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one is sourced from PubChem (CID 161050385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).