(1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C99H121ClF4N24O6 — CID 158154575

IUPAC(1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1[nH]nc2c(C(F)(F)F)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1[nH]nc2c(F)cccc12.CC(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(C)c2c(Cl)cccc12.CC(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(C)c2ccccc12.CC(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(C)c2ccccc12.Cc1cccc2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)n(C)nc12
InChIInChI=1S/C18H24N4O.C17H19F3N4O.C16H19ClN4O.C16H19FN4O.2C16H20N4O/c1-10-6-5-7-11-15(10)21-22(4)16(11)18(2,3)20-17(23)14-12-8-19-9-13(12)14;1-16(2,22-15(25)12-9-6-21-7-10(9)12)14-8-4-3-5-11(17(18,19)20)13(8)23-24-14;1-8(19-16(22)13-10-6-18-7-11(10)13)14-9-4-3-5-12(17)15(9)21(2)20-14;1-16(2,19-15(22)12-9-6-18-7-10(9)12)14-8-4-3-5-11(17)13(8)20-21-14;2*1-9(18-16(21)14-11-7-17-8-12(11)14)15-10-5-3-4-6-13(10)20(2)19-15/h5-7,12-14,19H,8-9H2,1-4H3,(H,20,23);3-5,9-10,12,21H,6-7H2,1-2H3,(H,22,25)(H,23,24);3-5,8,10-11,13,18H,6-7H2,1-2H3,(H,19,22);3-5,9-10,12,18H,6-7H2,1-2H3,(H,19,22)(H,20,21);2*3-6,9,11-12,14,17H,7-8H2,1-2H3,(H,18,21)/t12-,13+,14?;9-,10+,12?;8?,10-,11+,13?;9-,10+,12?;2*9?,11-,12+,14?
InChIKeyFVNGUPIFANQMKO-WCLYETFTSA-N
MW1854.66 g/mol
LogP9.92
Rot. Bonds18

About (1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 158154575) has the molecular formula C99H121ClF4N24O6 and a molecular weight of 1854.66 g/mol. Its IUPAC name is (1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID158154575
Molecular FormulaC99H121ClF4N24O6
Molecular Weight1854.66 g/mol
Exact Mass1852.95
IUPAC Name(1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1[nH]nc2c(C(F)(F)F)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1[nH]nc2c(F)cccc12.CC(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(C)c2c(Cl)cccc12.CC(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(C)c2ccccc12.CC(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(C)c2ccccc12.Cc1cccc2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)n(C)nc12
InChIInChI=1S/C18H24N4O.C17H19F3N4O.C16H19ClN4O.C16H19FN4O.2C16H20N4O/c1-10-6-5-7-11-15(10)21-22(4)16(11)18(2,3)20-17(23)14-12-8-19-9-13(12)14;1-16(2,22-15(25)12-9-6-21-7-10(9)12)14-8-4-3-5-11(17(18,19)20)13(8)23-24-14;1-8(19-16(22)13-10-6-18-7-11(10)13)14-9-4-3-5-12(17)15(9)21(2)20-14;1-16(2,19-15(22)12-9-6-18-7-10(9)12)14-8-4-3-5-11(17)13(8)20-21-14;2*1-9(18-16(21)14-11-7-17-8-12(11)14)15-10-5-3-4-6-13(10)20(2)19-15/h5-7,12-14,19H,8-9H2,1-4H3,(H,20,23);3-5,9-10,12,21H,6-7H2,1-2H3,(H,22,25)(H,23,24);3-5,8,10-11,13,18H,6-7H2,1-2H3,(H,19,22);3-5,9-10,12,18H,6-7H2,1-2H3,(H,19,22)(H,20,21);2*3-6,9,11-12,14,17H,7-8H2,1-2H3,(H,18,21)/t12-,13+,14?;9-,10+,12?;8?,10-,11+,13?;9-,10+,12?;2*9?,11-,12+,14?
InChIKeyFVNGUPIFANQMKO-WCLYETFTSA-N
XLogP9.92
TPSA375.42 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001854.66
LogP ≤ 59.92
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

Analyze (1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 158154575) is (1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1[nH]nc2c(C(F)(F)F)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1[nH]nc2c(F)cccc12.CC(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(C)c2c(Cl)cccc12.CC(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(C)c2ccccc12.CC(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(C)c2ccccc12.Cc1cccc2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)n(C)nc12.
What is the InChIKey of (1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is FVNGUPIFANQMKO-WCLYETFTSA-N. The full InChI is InChI=1S/C18H24N4O.C17H19F3N4O.C16H19ClN4O.C16H19FN4O.2C16H20N4O/c1-10-6-5-7-11-15(10)21-22(4)16(11)18(2,3)20-17(23)14-12-8-19-9-13(12)14;1-16(2,22-15(25)12-9-6-21-7-10(9)12)14-8-4-3-5-11(17(18,19)20)13(8)23-24-14;1-8(19-16(22)13-10-6-18-7-11(10)13)14-9-4-3-5-12(17)15(9)21(2)20-14;1-16(2,19-15(22)12-9-6-18-7-10(9)12)14-8-4-3-5-11(17)13(8)20-21-14;2*1-9(18-16(21)14-11-7-17-8-12(11)14)15-10-5-3-4-6-13(10)20(2)19-15/h5-7,12-14,19H,8-9H2,1-4H3,(H,20,23);3-5,9-10,12,21H,6-7H2,1-2H3,(H,22,25)(H,23,24);3-5,8,10-11,13,18H,6-7H2,1-2H3,(H,19,22);3-5,9-10,12,18H,6-7H2,1-2H3,(H,19,22)(H,20,21);2*3-6,9,11-12,14,17H,7-8H2,1-2H3,(H,18,21)/t12-,13+,14?;9-,10+,12?;8?,10-,11+,13?;9-,10+,12?;2*9?,11-,12+,14?.
What are the key properties of (1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 1854.66 g/mol, XLogP of 9.92, 18 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[1-(7-chloro-1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1S,5R)-N-[2-[7-(trifluoromethyl)-2H-indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 158154575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).