2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

C165H164F7N27O8 — CID 159336030

IUPAC2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESCCc1nnc2ccc(-c3n[nH]c4ccc(C(=O)C[C@@H]5CCCN(Cc6c(F)cccc6OC)C5)cc34)cn12.CN1CC(CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)CCC1C1CC1.COc1cccc(F)c1CN1CC(CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)CCC1C1CC1.O=C(CC1CN(Cc2ccccc2)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(CC1CN(Cc2ccccc2F)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(N[C@@H]1CCCN(CC2=NCC=N2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C33H33FN4O2.C30H31FN6O2.C27H24F3N3O.C27H25F2N3O.C26H28N4O.C22H23N7O/c1-40-31-4-2-3-28(34)27(31)20-38-18-21(5-11-29(38)22-6-7-22)15-30(39)23-8-9-24-17-36-33(26(24)16-23)25-10-12-32-35-13-14-37(32)19-25;1-3-28-33-34-29-12-10-21(17-37(28)29)30-22-15-20(9-11-25(22)32-35-30)26(38)14-19-6-5-13-36(16-19)18-23-24(31)7-4-8-27(23)39-2;28-24-4-2-1-3-22(24)16-33-15-18(13-27(29,30)17-33)11-25(34)20-5-6-21-14-32-26(23(21)12-20)19-7-9-31-10-8-19;28-27(29)14-20(17-32(18-27)16-19-4-2-1-3-5-19)12-25(33)22-6-7-23-15-31-26(24(23)13-22)21-8-10-30-11-9-21;1-29-15-17(2-8-23(29)18-3-4-18)12-24(31)19-5-6-20-14-28-26(22(20)13-19)21-7-9-25-27-10-11-30(25)16-21;30-22(26-17-2-1-11-29(13-17)14-20-24-9-10-25-20)16-3-4-19-18(12-16)21(28-27-19)15-5-7-23-8-6-15/h2-4,8-10,12-14,16,19,21-22,29H,5-7,11,15,17-18,20H2,1H3;4,7-12,15,17,19H,3,5-6,13-14,16,18H2,1-2H3,(H,32,35);1-10,12,18H,11,13-17H2;1-11,13,20H,12,14-18H2;5-7,9-11,13,16-18,23H,2-4,8,12,14-15H2,1H3;3-9,12,17H,1-2,10-11,13-14H2,(H,26,30)(H,27,28)/t;19-;;;;17-/m.0...1/s1
InChIKeyLFNVEDKDLGYFMJ-DBKQLIIGSA-N
MW2786.29 g/mol
LogP28.71
Rot. Bonds38

About 2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 159336030) has the molecular formula C165H164F7N27O8 and a molecular weight of 2786.29 g/mol. Its IUPAC name is 2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID159336030
Molecular FormulaC165H164F7N27O8
Molecular Weight2786.29 g/mol
Exact Mass2784.31
IUPAC Name2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESCCc1nnc2ccc(-c3n[nH]c4ccc(C(=O)C[C@@H]5CCCN(Cc6c(F)cccc6OC)C5)cc34)cn12.CN1CC(CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)CCC1C1CC1.COc1cccc(F)c1CN1CC(CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)CCC1C1CC1.O=C(CC1CN(Cc2ccccc2)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(CC1CN(Cc2ccccc2F)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(N[C@@H]1CCCN(CC2=NCC=N2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C33H33FN4O2.C30H31FN6O2.C27H24F3N3O.C27H25F2N3O.C26H28N4O.C22H23N7O/c1-40-31-4-2-3-28(34)27(31)20-38-18-21(5-11-29(38)22-6-7-22)15-30(39)23-8-9-24-17-36-33(26(24)16-23)25-10-12-32-35-13-14-37(32)19-25;1-3-28-33-34-29-12-10-21(17-37(28)29)30-22-15-20(9-11-25(22)32-35-30)26(38)14-19-6-5-13-36(16-19)18-23-24(31)7-4-8-27(23)39-2;28-24-4-2-1-3-22(24)16-33-15-18(13-27(29,30)17-33)11-25(34)20-5-6-21-14-32-26(23(21)12-20)19-7-9-31-10-8-19;28-27(29)14-20(17-32(18-27)16-19-4-2-1-3-5-19)12-25(33)22-6-7-23-15-31-26(24(23)13-22)21-8-10-30-11-9-21;1-29-15-17(2-8-23(29)18-3-4-18)12-24(31)19-5-6-20-14-28-26(22(20)13-19)21-7-9-25-27-10-11-30(25)16-21;30-22(26-17-2-1-11-29(13-17)14-20-24-9-10-25-20)16-3-4-19-18(12-16)21(28-27-19)15-5-7-23-8-6-15/h2-4,8-10,12-14,16,19,21-22,29H,5-7,11,15,17-18,20H2,1H3;4,7-12,15,17,19H,3,5-6,13-14,16,18H2,1-2H3,(H,32,35);1-10,12,18H,11,13-17H2;1-11,13,20H,12,14-18H2;5-7,9-11,13,16-18,23H,2-4,8,12,14-15H2,1H3;3-9,12,17H,1-2,10-11,13-14H2,(H,26,30)(H,27,28)/t;19-;;;;17-/m.0...1/s1
InChIKeyLFNVEDKDLGYFMJ-DBKQLIIGSA-N
XLogP28.71
TPSA387.33 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002786.29
LogP ≤ 528.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Analyze 2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3R,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 56591156
N-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 56591157
N-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-oxopiperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 56591180
N-[(3R,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 56591221
N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indazole-5-carboxamide
CID 56591245
N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 89509085
N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-oxopiperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 89509090
3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 89509140
N-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 89509141
N-[(3R)-5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 89509188
N-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 89509245
2-[4-[4-[5-[4-[3-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]phenyl]-5-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluoro-6-methoxyphenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide
CID 155281213

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of 2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 159336030) is 2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for 2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for 2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is CCc1nnc2ccc(-c3n[nH]c4ccc(C(=O)C[C@@H]5CCCN(Cc6c(F)cccc6OC)C5)cc34)cn12.CN1CC(CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)CCC1C1CC1.COc1cccc(F)c1CN1CC(CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)CCC1C1CC1.O=C(CC1CN(Cc2ccccc2)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(CC1CN(Cc2ccccc2F)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(N[C@@H]1CCCN(CC2=NCC=N2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of 2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is LFNVEDKDLGYFMJ-DBKQLIIGSA-N. The full InChI is InChI=1S/C33H33FN4O2.C30H31FN6O2.C27H24F3N3O.C27H25F2N3O.C26H28N4O.C22H23N7O/c1-40-31-4-2-3-28(34)27(31)20-38-18-21(5-11-29(38)22-6-7-22)15-30(39)23-8-9-24-17-36-33(26(24)16-23)25-10-12-32-35-13-14-37(32)19-25;1-3-28-33-34-29-12-10-21(17-37(28)29)30-22-15-20(9-11-25(22)32-35-30)26(38)14-19-6-5-13-36(16-19)18-23-24(31)7-4-8-27(23)39-2;28-24-4-2-1-3-22(24)16-33-15-18(13-27(29,30)17-33)11-25(34)20-5-6-21-14-32-26(23(21)12-20)19-7-9-31-10-8-19;28-27(29)14-20(17-32(18-27)16-19-4-2-1-3-5-19)12-25(33)22-6-7-23-15-31-26(24(23)13-22)21-8-10-30-11-9-21;1-29-15-17(2-8-23(29)18-3-4-18)12-24(31)19-5-6-20-14-28-26(22(20)13-19)21-7-9-25-27-10-11-30(25)16-21;30-22(26-17-2-1-11-29(13-17)14-20-24-9-10-25-20)16-3-4-19-18(12-16)21(28-27-19)15-5-7-23-8-6-15/h2-4,8-10,12-14,16,19,21-22,29H,5-7,11,15,17-18,20H2,1H3;4,7-12,15,17,19H,3,5-6,13-14,16,18H2,1-2H3,(H,32,35);1-10,12,18H,11,13-17H2;1-11,13,20H,12,14-18H2;5-7,9-11,13,16-18,23H,2-4,8,12,14-15H2,1H3;3-9,12,17H,1-2,10-11,13-14H2,(H,26,30)(H,27,28)/t;19-;;;;17-/m.0...1/s1.
What are the key properties of 2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 2786.29 g/mol, XLogP of 28.71, 38 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 159336030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).