N-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone

C135H140F5N29O10 — CID 160756910

IUPACN-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.CC(C)(C)NC(=O)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.CN(C)CC(=O)N1CC=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.N#Cc1cc(C2=CCCCC2)c2nncn2c1CCc1c(F)ccc2c1CCO2.N#Cc1cc(C2=CCCCC2)c2nncn2c1CCc1ccco1.N#Cc1cc(C2=CCOCC2)c2nncn2c1CCc1c(F)ccc2c1CCO2
InChIInChI=1S/C25H31FN6O2.C24H27FN6O2.C23H21FN4O.C22H24FN5O2.C22H19FN4O2.C19H18N4O/c1-25(2,3)29-24(33)31-11-8-16(9-12-31)19-14-27-22(32-15-28-30-23(19)32)7-4-17-18-10-13-34-21(18)6-5-20(17)26;1-29(2)14-23(32)30-10-7-16(8-11-30)19-13-26-22(31-15-27-28-24(19)31)6-3-17-18-9-12-33-21(18)5-4-20(17)25;24-20-7-9-22-18(10-11-29-22)17(20)6-8-21-16(13-25)12-19(15-4-2-1-3-5-15)23-27-26-14-28(21)23;1-14(29)27-9-6-15(7-10-27)18-12-24-21(28-13-25-26-22(18)28)5-2-16-17-8-11-30-20(17)4-3-19(16)23;23-19-2-4-21-17(7-10-29-21)16(19)1-3-20-15(12-24)11-18(14-5-8-28-9-6-14)22-26-25-13-27(20)22;20-12-15-11-17(14-5-2-1-3-6-14)19-22-21-13-23(19)18(15)9-8-16-7-4-10-24-16/h5-6,14-16H,4,7-13H2,1-3H3,(H,29,33);4-5,7,13,15H,3,6,8-12,14H2,1-2H3;4,7,9,12,14H,1-3,5-6,8,10-11H2;3-4,12-13,15H,2,5-11H2,1H3;2,4-5,11,13H,1,3,6-10H2;4-5,7,10-11,13H,1-3,6,8-9H2
InChIKeyRXOAFSDYJLURHJ-UHFFFAOYSA-N
MW2423.79 g/mol
LogP20.16
Rot. Bonds26

About N-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone

N-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone (PubChem CID 160756910) has the molecular formula C135H140F5N29O10 and a molecular weight of 2423.79 g/mol. Its IUPAC name is N-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound NameN-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone
PubChem CID160756910
Molecular FormulaC135H140F5N29O10
Molecular Weight2423.79 g/mol
Exact Mass2422.13
IUPAC NameN-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.CC(C)(C)NC(=O)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.CN(C)CC(=O)N1CC=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.N#Cc1cc(C2=CCCCC2)c2nncn2c1CCc1c(F)ccc2c1CCO2.N#Cc1cc(C2=CCCCC2)c2nncn2c1CCc1ccco1.N#Cc1cc(C2=CCOCC2)c2nncn2c1CCc1c(F)ccc2c1CCO2
InChIInChI=1S/C25H31FN6O2.C24H27FN6O2.C23H21FN4O.C22H24FN5O2.C22H19FN4O2.C19H18N4O/c1-25(2,3)29-24(33)31-11-8-16(9-12-31)19-14-27-22(32-15-28-30-23(19)32)7-4-17-18-10-13-34-21(18)6-5-20(17)26;1-29(2)14-23(32)30-10-7-16(8-11-30)19-13-26-22(31-15-27-28-24(19)31)6-3-17-18-9-12-33-21(18)5-4-20(17)25;24-20-7-9-22-18(10-11-29-22)17(20)6-8-21-16(13-25)12-19(15-4-2-1-3-5-15)23-27-26-14-28(21)23;1-14(29)27-9-6-15(7-10-27)18-12-24-21(28-13-25-26-22(18)28)5-2-16-17-8-11-30-20(17)4-3-19(16)23;23-19-2-4-21-17(7-10-29-21)16(19)1-3-20-15(12-24)11-18(14-5-8-28-9-6-14)22-26-25-13-27(20)22;20-12-15-11-17(14-5-2-1-3-6-14)19-22-21-13-23(19)18(15)9-8-16-7-4-10-24-16/h5-6,14-16H,4,7-13H2,1-3H3,(H,29,33);4-5,7,13,15H,3,6,8-12,14H2,1-2H3;4,7,9,12,14H,1-3,5-6,8,10-11H2;3-4,12-13,15H,2,5-11H2,1H3;2,4-5,11,13H,1,3,6-10H2;4-5,7,10-11,13H,1-3,6,8-9H2
InChIKeyRXOAFSDYJLURHJ-UHFFFAOYSA-N
XLogP20.16
TPSA435.90 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds26
Heavy Atoms179
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002423.79
LogP ≤ 520.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Analyze N-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone?
The IUPAC name of N-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone (CID 160756910) is N-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for N-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone?
The canonical SMILES for N-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.CC(C)(C)NC(=O)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.CN(C)CC(=O)N1CC=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.N#Cc1cc(C2=CCCCC2)c2nncn2c1CCc1c(F)ccc2c1CCO2.N#Cc1cc(C2=CCCCC2)c2nncn2c1CCc1ccco1.N#Cc1cc(C2=CCOCC2)c2nncn2c1CCc1c(F)ccc2c1CCO2.
What is the InChIKey of N-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone?
The InChIKey is RXOAFSDYJLURHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O2.C24H27FN6O2.C23H21FN4O.C22H24FN5O2.C22H19FN4O2.C19H18N4O/c1-25(2,3)29-24(33)31-11-8-16(9-12-31)19-14-27-22(32-15-28-30-23(19)32)7-4-17-18-10-13-34-21(18)6-5-20(17)26;1-29(2)14-23(32)30-10-7-16(8-11-30)19-13-26-22(31-15-27-28-24(19)31)6-3-17-18-9-12-33-21(18)5-4-20(17)25;24-20-7-9-22-18(10-11-29-22)17(20)6-8-21-16(13-25)12-19(15-4-2-1-3-5-15)23-27-26-14-28(21)23;1-14(29)27-9-6-15(7-10-27)18-12-24-21(28-13-25-26-22(18)28)5-2-16-17-8-11-30-20(17)4-3-19(16)23;23-19-2-4-21-17(7-10-29-21)16(19)1-3-20-15(12-24)11-18(14-5-8-28-9-6-14)22-26-25-13-27(20)22;20-12-15-11-17(14-5-2-1-3-6-14)19-22-21-13-23(19)18(15)9-8-16-7-4-10-24-16/h5-6,14-16H,4,7-13H2,1-3H3,(H,29,33);4-5,7,13,15H,3,6,8-12,14H2,1-2H3;4,7,9,12,14H,1-3,5-6,8,10-11H2;3-4,12-13,15H,2,5-11H2,1H3;2,4-5,11,13H,1,3,6-10H2;4-5,7,10-11,13H,1-3,6,8-9H2.
What are the key properties of N-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone?
N-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone has a molecular weight of 2423.79 g/mol, XLogP of 20.16, 26 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidine-1-carboxamide;8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(cyclohexen-1-yl)-5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;8-(3,6-dihydro-2H-pyran-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 160756910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).