N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone

C104H102F7N13O6 — CID 157372966

IUPACN-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
SMILESCOc1cccc(F)c1CN1CC(CC(=O)c2ccc3c(c2)C(c2ccncc2)=NC3)CC(F)(F)C1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(CC(O)c5ccccc5C)C4)cc32)ccn1.O=C(CC1CN(Cc2c(F)cccc2F)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(NC1CCCCC1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C30H33N3O2.C28H26F3N3O2.C27H23F4N3O.C19H20N4O/c1-20-6-3-4-8-26(20)29(35)19-33-13-5-7-22(18-33)15-28(34)23-9-10-25-17-32-30(27(25)16-23)24-11-12-31-21(2)14-24;1-36-26-4-2-3-24(29)23(26)16-34-15-18(13-28(30,31)17-34)11-25(35)20-5-6-21-14-33-27(22(21)12-20)19-7-9-32-10-8-19;28-23-2-1-3-24(29)22(23)15-34-14-17(12-27(30,31)16-34)10-25(35)19-4-5-20-13-33-26(21(20)11-19)18-6-8-32-9-7-18;24-19(21-15-4-2-1-3-5-15)14-6-7-17-16(12-14)18(23-22-17)13-8-10-20-11-9-13/h3-4,6,8-12,14,16,22,29,35H,5,7,13,15,17-19H2,1-2H3;2-10,12,18H,11,13-17H2,1H3;1-9,11,17H,10,12-16H2;6-12,15H,1-5H2,(H,21,24)(H,22,23)/t22-,29?;;;/m0.../s1
InChIKeyBJZFWYOZMOFOJW-MAUYCJAFSA-N
MW1763.03 g/mol
LogP19.51
Rot. Bonds23

About N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone

N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone (PubChem CID 157372966) has the molecular formula C104H102F7N13O6 and a molecular weight of 1763.03 g/mol. Its IUPAC name is N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone.

Molecular Properties

Compound NameN-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
PubChem CID157372966
Molecular FormulaC104H102F7N13O6
Molecular Weight1763.03 g/mol
Exact Mass1761.80
IUPAC NameN-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
SMILESCOc1cccc(F)c1CN1CC(CC(=O)c2ccc3c(c2)C(c2ccncc2)=NC3)CC(F)(F)C1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(CC(O)c5ccccc5C)C4)cc32)ccn1.O=C(CC1CN(Cc2c(F)cccc2F)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(NC1CCCCC1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C30H33N3O2.C28H26F3N3O2.C27H23F4N3O.C19H20N4O/c1-20-6-3-4-8-26(20)29(35)19-33-13-5-7-22(18-33)15-28(34)23-9-10-25-17-32-30(27(25)16-23)24-11-12-31-21(2)14-24;1-36-26-4-2-3-24(29)23(26)16-34-15-18(13-28(30,31)17-34)11-25(35)20-5-6-21-14-33-27(22(21)12-20)19-7-9-32-10-8-19;28-23-2-1-3-24(29)22(23)15-34-14-17(12-27(30,31)16-34)10-25(35)19-4-5-20-13-33-26(21(20)11-19)18-6-8-32-9-7-18;24-19(21-15-4-2-1-3-5-15)14-6-7-17-16(12-14)18(23-22-17)13-8-10-20-11-9-13/h3-4,6,8-12,14,16,22,29,35H,5,7,13,15,17-19H2,1-2H3;2-10,12,18H,11,13-17H2,1H3;1-9,11,17H,10,12-16H2;6-12,15H,1-5H2,(H,21,24)(H,22,23)/t22-,29?;;;/m0.../s1
InChIKeyBJZFWYOZMOFOJW-MAUYCJAFSA-N
XLogP19.51
TPSA236.81 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001763.03
LogP ≤ 519.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone with MolForge

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Related Compounds

N-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591155
N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591177
N-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591179
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-hydroxy-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591315
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[[(1R,3R)-3-hydroxycyclopentyl]methylcarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591336
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591338
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-hydroxypiperidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591339
N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 56591359
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(morpholine-4-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591361
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(piperidine-1-carbonyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 70652194
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(6-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652247
N-[(3R,6S)-6-(4-acetylpiperazine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652297

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?
The IUPAC name of N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone (CID 157372966) is N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone.
What is the SMILES notation for N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?
The canonical SMILES for N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone is COc1cccc(F)c1CN1CC(CC(=O)c2ccc3c(c2)C(c2ccncc2)=NC3)CC(F)(F)C1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(CC(O)c5ccccc5C)C4)cc32)ccn1.O=C(CC1CN(Cc2c(F)cccc2F)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(NC1CCCCC1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?
The InChIKey is BJZFWYOZMOFOJW-MAUYCJAFSA-N. The full InChI is InChI=1S/C30H33N3O2.C28H26F3N3O2.C27H23F4N3O.C19H20N4O/c1-20-6-3-4-8-26(20)29(35)19-33-13-5-7-22(18-33)15-28(34)23-9-10-25-17-32-30(27(25)16-23)24-11-12-31-21(2)14-24;1-36-26-4-2-3-24(29)23(26)16-34-15-18(13-28(30,31)17-34)11-25(35)20-5-6-21-14-33-27(22(21)12-20)19-7-9-32-10-8-19;28-23-2-1-3-24(29)22(23)15-34-14-17(12-27(30,31)16-34)10-25(35)19-4-5-20-13-33-26(21(20)11-19)18-6-8-32-9-7-18;24-19(21-15-4-2-1-3-5-15)14-6-7-17-16(12-14)18(23-22-17)13-8-10-20-11-9-13/h3-4,6,8-12,14,16,22,29,35H,5,7,13,15,17-19H2,1-2H3;2-10,12,18H,11,13-17H2,1H3;1-9,11,17H,10,12-16H2;6-12,15H,1-5H2,(H,21,24)(H,22,23)/t22-,29?;;;/m0.../s1.
What are the key properties of N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?
N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone has a molecular weight of 1763.03 g/mol, XLogP of 19.51, 23 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone is sourced from PubChem (CID 157372966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).