N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

C141H152F8N22O8S — CID 158461708

IUPACN-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCc1cc(C2=NCC3=C2CN(C(=O)C[C@@H]2CC[C@H]4CC[C@@H]2N4Cc2c(F)cccc2F)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)C[C@H]2CN(Cc4c(F)cccc4F)CC(F)(F)C2)CC3)ccn1.Cc1nc2ccc(-c3n[nH]c4c3CN(C(=O)N[C@@H]3CCCN(Cc5coc6ccccc56)C3)CC4)cc2s1.O=C(C[C@@H]1CCCN(Cc2c(F)cccc2F)C1)N1CCc2[nH]nc(-c3ccc4c(c3)CCO4)c2C1.O=C(C[C@@H]1CCCN(Cc2ccccc2)C1)N1CCc2[nH]nc(-c3ccc4c(c3)CCO4)c2C1
InChIInChI=1S/C29H32F2N4O.C29H30N6O2S.C28H30F2N4O2.C28H32N4O2.C27H28F4N4O/c1-18-13-20(9-11-32-18)29-23-16-34(12-10-21(23)15-33-29)28(36)14-19-5-6-22-7-8-27(19)35(22)17-24-25(30)3-2-4-26(24)31;1-18-30-25-9-8-19(13-27(25)38-18)28-23-16-35(12-10-24(23)32-33-28)29(36)31-21-5-4-11-34(15-21)14-20-17-37-26-7-3-2-6-22(20)26;29-23-4-1-5-24(30)21(23)16-33-10-2-3-18(15-33)13-27(35)34-11-8-25-22(17-34)28(32-31-25)20-6-7-26-19(14-20)9-12-36-26;33-27(15-21-7-4-12-31(18-21)17-20-5-2-1-3-6-20)32-13-10-25-24(19-32)28(30-29-25)23-8-9-26-22(16-23)11-14-34-26;1-17-9-19(5-7-32-17)26-21-15-35(8-6-20(21)12-33-26)25(36)10-18-11-27(30,31)16-34(13-18)14-22-23(28)3-2-4-24(22)29/h2-4,9,11,13,19,22,27H,5-8,10,12,14-17H2,1H3;2-3,6-9,13,17,21H,4-5,10-12,14-16H2,1H3,(H,31,36)(H,32,33);1,4-7,14,18H,2-3,8-13,15-17H2,(H,31,32);1-3,5-6,8-9,16,21H,4,7,10-15,17-19H2,(H,29,30);2-5,7,9,18H,6,8,10-16H2,1H3/t19-,22-,27-;21-;18-;21-;18-/m01001/s1
InChIKeyHFGIUIHYGIRRSN-FYUYAHRRSA-N
MW2466.96 g/mol
LogP23.53
Rot. Bonds24

About N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 158461708) has the molecular formula C141H152F8N22O8S and a molecular weight of 2466.96 g/mol. Its IUPAC name is N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound NameN-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID158461708
Molecular FormulaC141H152F8N22O8S
Molecular Weight2466.96 g/mol
Exact Mass2465.18
IUPAC NameN-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCc1cc(C2=NCC3=C2CN(C(=O)C[C@@H]2CC[C@H]4CC[C@@H]2N4Cc2c(F)cccc2F)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)C[C@H]2CN(Cc4c(F)cccc4F)CC(F)(F)C2)CC3)ccn1.Cc1nc2ccc(-c3n[nH]c4c3CN(C(=O)N[C@@H]3CCCN(Cc5coc6ccccc56)C3)CC4)cc2s1.O=C(C[C@@H]1CCCN(Cc2c(F)cccc2F)C1)N1CCc2[nH]nc(-c3ccc4c(c3)CCO4)c2C1.O=C(C[C@@H]1CCCN(Cc2ccccc2)C1)N1CCc2[nH]nc(-c3ccc4c(c3)CCO4)c2C1
InChIInChI=1S/C29H32F2N4O.C29H30N6O2S.C28H30F2N4O2.C28H32N4O2.C27H28F4N4O/c1-18-13-20(9-11-32-18)29-23-16-34(12-10-21(23)15-33-29)28(36)14-19-5-6-22-7-8-27(19)35(22)17-24-25(30)3-2-4-26(24)31;1-18-30-25-9-8-19(13-27(25)38-18)28-23-16-35(12-10-24(23)32-33-28)29(36)31-21-5-4-11-34(15-21)14-20-17-37-26-7-3-2-6-22(20)26;29-23-4-1-5-24(30)21(23)16-33-10-2-3-18(15-33)13-27(35)34-11-8-25-22(17-34)28(32-31-25)20-6-7-26-19(14-20)9-12-36-26;33-27(15-21-7-4-12-31(18-21)17-20-5-2-1-3-6-20)32-13-10-25-24(19-32)28(30-29-25)23-8-9-26-22(16-23)11-14-34-26;1-17-9-19(5-7-32-17)26-21-15-35(8-6-20(21)12-33-26)25(36)10-18-11-27(30,31)16-34(13-18)14-22-23(28)3-2-4-24(22)29/h2-4,9,11,13,19,22,27H,5-8,10,12,14-17H2,1H3;2-3,6-9,13,17,21H,4-5,10-12,14-16H2,1H3,(H,31,36)(H,32,33);1,4-7,14,18H,2-3,8-13,15-17H2,(H,31,32);1-3,5-6,8-9,16,21H,4,7,10-15,17-19H2,(H,29,30);2-5,7,9,18H,6,8,10-16H2,1H3/t19-,22-,27-;21-;18-;21-;18-/m01001/s1
InChIKeyHFGIUIHYGIRRSN-FYUYAHRRSA-N
XLogP23.53
TPSA310.81 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002466.96
LogP ≤ 523.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 158461708) is N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is Cc1cc(C2=NCC3=C2CN(C(=O)C[C@@H]2CC[C@H]4CC[C@@H]2N4Cc2c(F)cccc2F)CC3)ccn1.Cc1cc(C2=NCC3=C2CN(C(=O)C[C@H]2CN(Cc4c(F)cccc4F)CC(F)(F)C2)CC3)ccn1.Cc1nc2ccc(-c3n[nH]c4c3CN(C(=O)N[C@@H]3CCCN(Cc5coc6ccccc56)C3)CC4)cc2s1.O=C(C[C@@H]1CCCN(Cc2c(F)cccc2F)C1)N1CCc2[nH]nc(-c3ccc4c(c3)CCO4)c2C1.O=C(C[C@@H]1CCCN(Cc2ccccc2)C1)N1CCc2[nH]nc(-c3ccc4c(c3)CCO4)c2C1.
What is the InChIKey of N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is HFGIUIHYGIRRSN-FYUYAHRRSA-N. The full InChI is InChI=1S/C29H32F2N4O.C29H30N6O2S.C28H30F2N4O2.C28H32N4O2.C27H28F4N4O/c1-18-13-20(9-11-32-18)29-23-16-34(12-10-21(23)15-33-29)28(36)14-19-5-6-22-7-8-27(19)35(22)17-24-25(30)3-2-4-26(24)31;1-18-30-25-9-8-19(13-27(25)38-18)28-23-16-35(12-10-24(23)32-33-28)29(36)31-21-5-4-11-34(15-21)14-20-17-37-26-7-3-2-6-22(20)26;29-23-4-1-5-24(30)21(23)16-33-10-2-3-18(15-33)13-27(35)34-11-8-25-22(17-34)28(32-31-25)20-6-7-26-19(14-20)9-12-36-26;33-27(15-21-7-4-12-31(18-21)17-20-5-2-1-3-6-20)32-13-10-25-24(19-32)28(30-29-25)23-8-9-26-22(16-23)11-14-34-26;1-17-9-19(5-7-32-17)26-21-15-35(8-6-20(21)12-33-26)25(36)10-18-11-27(30,31)16-34(13-18)14-22-23(28)3-2-4-24(22)29/h2-4,9,11,13,19,22,27H,5-8,10,12,14-17H2,1H3;2-3,6-9,13,17,21H,4-5,10-12,14-16H2,1H3,(H,31,36)(H,32,33);1,4-7,14,18H,2-3,8-13,15-17H2,(H,31,32);1-3,5-6,8-9,16,21H,4,7,10-15,17-19H2,(H,29,30);2-5,7,9,18H,6,8,10-16H2,1H3/t19-,22-,27-;21-;18-;21-;18-/m01001/s1.
What are the key properties of N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 2466.96 g/mol, XLogP of 23.53, 24 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 158461708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).