5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole

C110H105F4N29O3 — CID 159008464

IUPAC5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole
SMILESCOc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccc6nccn6c5)c4c3)nn2)C1.COc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.Cc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.[2H]C(c1c(F)cccc1OC)N1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1
InChIInChI=1S/C29H27FN8O.2C27H26FN7O.C27H26FN7/c1-39-27-6-2-5-24(30)23(27)17-36-12-3-4-19(15-36)26-18-38(35-33-26)21-8-9-25-22(14-21)29(34-32-25)20-7-10-28-31-11-13-37(28)16-20;2*1-36-26-6-2-5-23(28)22(26)16-34-13-3-4-19(15-34)25-17-35(33-31-25)20-7-8-24-21(14-20)27(32-30-24)18-9-11-29-12-10-18;1-18-4-2-6-24(28)23(18)16-34-13-3-5-20(15-34)26-17-35(33-31-26)21-7-8-25-22(14-21)27(32-30-25)19-9-11-29-12-10-19/h2,5-11,13-14,16,18-19H,3-4,12,15,17H2,1H3,(H,32,34);2*2,5-12,14,17,19H,3-4,13,15-16H2,1H3,(H,30,32);2,4,6-12,14,17,20H,3,5,13,15-16H2,1H3,(H,30,32)/t3*19-;20-/m1111/s1/i;16D;;/t;16?,19-;;
InChIKeyJSFFLXDJXQYPND-WZRPSWBRSA-N
MW1958.25 g/mol
LogP19.48
Rot. Bonds23

About 5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole

5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole (PubChem CID 159008464) has the molecular formula C110H105F4N29O3 and a molecular weight of 1958.25 g/mol. Its IUPAC name is 5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole
PubChem CID159008464
Molecular FormulaC110H105F4N29O3
Molecular Weight1958.25 g/mol
Exact Mass1956.90
IUPAC Name5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole
SMILESCOc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccc6nccn6c5)c4c3)nn2)C1.COc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.Cc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.[2H]C(c1c(F)cccc1OC)N1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1
InChIInChI=1S/C29H27FN8O.2C27H26FN7O.C27H26FN7/c1-39-27-6-2-5-24(30)23(27)17-36-12-3-4-19(15-36)26-18-38(35-33-26)21-8-9-25-22(14-21)29(34-32-25)20-7-10-28-31-11-13-37(28)16-20;2*1-36-26-6-2-5-23(28)22(26)16-34-13-3-4-19(15-34)25-17-35(33-31-25)20-7-8-24-21(14-20)27(32-30-24)18-9-11-29-12-10-18;1-18-4-2-6-24(28)23(18)16-34-13-3-5-20(15-34)26-17-35(33-31-26)21-7-8-25-22(14-21)27(32-30-25)19-9-11-29-12-10-19/h2,5-11,13-14,16,18-19H,3-4,12,15,17H2,1H3,(H,32,34);2*2,5-12,14,17,19H,3-4,13,15-16H2,1H3,(H,30,32);2,4,6-12,14,17,20H,3,5,13,15-16H2,1H3,(H,30,32)/t3*19-;20-/m1111/s1/i;16D;;/t;16?,19-;;
InChIKeyJSFFLXDJXQYPND-WZRPSWBRSA-N
XLogP19.48
TPSA334.18 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.25
LogP ≤ 519.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole with MolForge

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Related Compounds

5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole
CID 56968767
5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole
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N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
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N-[(1R,3R)-3-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxycyclohexyl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 67985062
2-ethenyl-6-[5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole
CID 163841042
5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-ylsulfonylphenyl)-1H-indazole;2-[5-[5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-3-pyridinyl]propan-2-ol;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;5-[5-[1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole
CID 159828692
2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 160508700
2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
CID 161120788
3-(1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 70652885
4-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136765637
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 70652372
6-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 137101116

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole?
The IUPAC name of 5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole (CID 159008464) is 5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole?
The canonical SMILES for 5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole is COc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccc6nccn6c5)c4c3)nn2)C1.COc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.Cc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.[2H]C(c1c(F)cccc1OC)N1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.
What is the InChIKey of 5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole?
The InChIKey is JSFFLXDJXQYPND-WZRPSWBRSA-N. The full InChI is InChI=1S/C29H27FN8O.2C27H26FN7O.C27H26FN7/c1-39-27-6-2-5-24(30)23(27)17-36-12-3-4-19(15-36)26-18-38(35-33-26)21-8-9-25-22(14-21)29(34-32-25)20-7-10-28-31-11-13-37(28)16-20;2*1-36-26-6-2-5-23(28)22(26)16-34-13-3-4-19(15-34)25-17-35(33-31-25)20-7-8-24-21(14-20)27(32-30-24)18-9-11-29-12-10-18;1-18-4-2-6-24(28)23(18)16-34-13-3-5-20(15-34)26-17-35(33-31-26)21-7-8-25-22(14-21)27(32-30-25)19-9-11-29-12-10-19/h2,5-11,13-14,16,18-19H,3-4,12,15,17H2,1H3,(H,32,34);2*2,5-12,14,17,19H,3-4,13,15-16H2,1H3,(H,30,32);2,4,6-12,14,17,20H,3,5,13,15-16H2,1H3,(H,30,32)/t3*19-;20-/m1111/s1/i;16D;;/t;16?,19-;;.
What are the key properties of 5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole?
5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole has a molecular weight of 1958.25 g/mol, XLogP of 19.48, 23 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 159008464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).