N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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

C128H121F9N18O8 — CID 159267533

IUPACN-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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
SMILESCOc1cccc(F)c1CN1CC(CC(=O)c2ccc3c(c2)C(c2ccncc2)=NC3)CC(F)(F)C1.O=C(CC1CN(C(=O)OCc2ccccc2)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(CC1CN(Cc2c(F)cccc2F)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(NC1CCCCC1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C28H26F3N3O2.C28H25F2N3O3.C27H23F4N3O.C26H27N5O.C19H20N4O/c1-36-26-4-2-3-24(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;29-28(30)14-20(16-33(18-28)27(35)36-17-19-4-2-1-3-5-19)12-25(34)22-6-7-23-15-32-26(24(23)13-22)21-8-10-31-11-9-21;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;32-26(28-22-8-4-5-15-31(18-22)17-19-6-2-1-3-7-19)21-9-10-24-23(16-21)25(30-29-24)20-11-13-27-14-12-20;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/h2-10,12,18H,11,13-17H2,1H3;1-11,13,20H,12,14-18H2;1-9,11,17H,10,12-16H2;1-3,6-7,9-14,16,22H,4-5,8,15,17-18H2,(H,28,32)(H,29,30);6-12,15H,1-5H2,(H,21,24)(H,22,23)
InChIKeyKXHHQUUJHNNVLH-UHFFFAOYSA-N
MW2210.48 g/mol
LogP24.15
Rot. Bonds27

About N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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

N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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 (PubChem CID 159267533) has the molecular formula C128H121F9N18O8 and a molecular weight of 2210.48 g/mol. Its IUPAC name is N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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.

Molecular Properties

Compound NameN-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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
PubChem CID159267533
Molecular FormulaC128H121F9N18O8
Molecular Weight2210.48 g/mol
Exact Mass2208.95
IUPAC NameN-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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
SMILESCOc1cccc(F)c1CN1CC(CC(=O)c2ccc3c(c2)C(c2ccncc2)=NC3)CC(F)(F)C1.O=C(CC1CN(C(=O)OCc2ccccc2)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(CC1CN(Cc2c(F)cccc2F)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(NC1CCCCC1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C28H26F3N3O2.C28H25F2N3O3.C27H23F4N3O.C26H27N5O.C19H20N4O/c1-36-26-4-2-3-24(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;29-28(30)14-20(16-33(18-28)27(35)36-17-19-4-2-1-3-5-19)12-25(34)22-6-7-23-15-32-26(24(23)13-22)21-8-10-31-11-9-21;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;32-26(28-22-8-4-5-15-31(18-22)17-19-6-2-1-3-7-19)21-9-10-24-23(16-21)25(30-29-24)20-11-13-27-14-12-20;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/h2-10,12,18H,11,13-17H2,1H3;1-11,13,20H,12,14-18H2;1-9,11,17H,10,12-16H2;1-3,6-7,9-14,16,22H,4-5,8,15,17-18H2,(H,28,32)(H,29,30);6-12,15H,1-5H2,(H,21,24)(H,22,23)
InChIKeyKXHHQUUJHNNVLH-UHFFFAOYSA-N
XLogP24.15
TPSA316.79 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002210.48
LogP ≤ 524.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(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-(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-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 56591360
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
tert-butyl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate
CID 56591401
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)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,2-oxazolidine-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652295
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
cyclopentyl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate
CID 70652307

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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?
The IUPAC name of N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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 (CID 159267533) is N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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.
What is the SMILES notation for N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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?
The canonical SMILES for N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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 is COc1cccc(F)c1CN1CC(CC(=O)c2ccc3c(c2)C(c2ccncc2)=NC3)CC(F)(F)C1.O=C(CC1CN(C(=O)OCc2ccccc2)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(CC1CN(Cc2c(F)cccc2F)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(NC1CCCCC1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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?
The InChIKey is KXHHQUUJHNNVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O2.C28H25F2N3O3.C27H23F4N3O.C26H27N5O.C19H20N4O/c1-36-26-4-2-3-24(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;29-28(30)14-20(16-33(18-28)27(35)36-17-19-4-2-1-3-5-19)12-25(34)22-6-7-23-15-32-26(24(23)13-22)21-8-10-31-11-9-21;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;32-26(28-22-8-4-5-15-31(18-22)17-19-6-2-1-3-7-19)21-9-10-24-23(16-21)25(30-29-24)20-11-13-27-14-12-20;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/h2-10,12,18H,11,13-17H2,1H3;1-11,13,20H,12,14-18H2;1-9,11,17H,10,12-16H2;1-3,6-7,9-14,16,22H,4-5,8,15,17-18H2,(H,28,32)(H,29,30);6-12,15H,1-5H2,(H,21,24)(H,22,23).
What are the key properties of N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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?
N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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 has a molecular weight of 2210.48 g/mol, XLogP of 24.15, 27 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;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 is sourced from PubChem (CID 159267533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).