2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide

C140H155FN24O8S — CID 160740966

IUPAC2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide
SMILESCc1ccccc1[C@@H]1CN(C)CC1NC(=O)N1CCC2=C(C1)C(c1ccc(F)cc1)=NC2.Cc1ccccc1[C@@H]1CN(C)CC1NC(=O)N1CCC2=C(C1)C(c1ccc3c(c1)CCO3)=NC2.Cc1ccccc1[C@@H]1CN(C)CC1NC(=O)N1CCC2=C(C1)C(c1cnn(C)c1)=NC2.Cc1nc2cc(-c3n[nH]c4c3CN(C(=O)C[C@@H]3CCCN(Cc5ccc6ccccc6c5)C3)CC4)ccc2o1.Cc1nc2cc(-c3n[nH]c4c3CN(C(=O)C[C@@H]3CCCN(Cc5csc6ccccc56)C3)CC4)ccc2o1
InChIInChI=1S/C32H33N5O2.C30H31N5O2S.C28H32N4O2.C26H29FN4O.C24H30N6O/c1-21-33-29-17-26(10-11-30(29)39-21)32-27-20-37(14-12-28(27)34-35-32)31(38)16-22-5-4-13-36(18-22)19-23-8-9-24-6-2-3-7-25(24)15-23;1-19-31-26-14-21(8-9-27(26)37-19)30-24-17-35(12-10-25(24)32-33-30)29(36)13-20-5-4-11-34(15-20)16-22-18-38-28-7-3-2-6-23(22)28;1-18-5-3-4-6-22(18)24-15-31(2)17-25(24)30-28(33)32-11-9-21-14-29-27(23(21)16-32)20-7-8-26-19(13-20)10-12-34-26;1-17-5-3-4-6-21(17)23-14-30(2)16-24(23)29-26(32)31-12-11-19-13-28-25(22(19)15-31)18-7-9-20(27)10-8-18;1-16-6-4-5-7-19(16)21-13-28(2)15-22(21)27-24(31)30-9-8-17-10-25-23(20(17)14-30)18-11-26-29(3)12-18/h2-3,6-11,15,17,22H,4-5,12-14,16,18-20H2,1H3,(H,34,35);2-3,6-9,14,18,20H,4-5,10-13,15-17H2,1H3,(H,32,33);3-8,13,24-25H,9-12,14-17H2,1-2H3,(H,30,33);3-10,23-24H,11-16H2,1-2H3,(H,29,32);4-7,11-12,21-22H,8-10,13-15H2,1-3H3,(H,27,31)/t22-;20-;24-,25?;23-,24?;21-,22?/m00000/s1
InChIKeyRVONIVTWWOHVGS-SALMWTSOSA-N
MW2353.00 g/mol
LogP21.42
Rot. Bonds19

About 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide

2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide (PubChem CID 160740966) has the molecular formula C140H155FN24O8S and a molecular weight of 2353.00 g/mol. Its IUPAC name is 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide
PubChem CID160740966
Molecular FormulaC140H155FN24O8S
Molecular Weight2353.00 g/mol
Exact Mass2351.22
IUPAC Name2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide
SMILESCc1ccccc1[C@@H]1CN(C)CC1NC(=O)N1CCC2=C(C1)C(c1ccc(F)cc1)=NC2.Cc1ccccc1[C@@H]1CN(C)CC1NC(=O)N1CCC2=C(C1)C(c1ccc3c(c1)CCO3)=NC2.Cc1ccccc1[C@@H]1CN(C)CC1NC(=O)N1CCC2=C(C1)C(c1cnn(C)c1)=NC2.Cc1nc2cc(-c3n[nH]c4c3CN(C(=O)C[C@@H]3CCCN(Cc5ccc6ccccc6c5)C3)CC4)ccc2o1.Cc1nc2cc(-c3n[nH]c4c3CN(C(=O)C[C@@H]3CCCN(Cc5csc6ccccc56)C3)CC4)ccc2o1
InChIInChI=1S/C32H33N5O2.C30H31N5O2S.C28H32N4O2.C26H29FN4O.C24H30N6O/c1-21-33-29-17-26(10-11-30(29)39-21)32-27-20-37(14-12-28(27)34-35-32)31(38)16-22-5-4-13-36(18-22)19-23-8-9-24-6-2-3-7-25(24)15-23;1-19-31-26-14-21(8-9-27(26)37-19)30-24-17-35(12-10-25(24)32-33-30)29(36)13-20-5-4-11-34(15-20)16-22-18-38-28-7-3-2-6-23(22)28;1-18-5-3-4-6-22(18)24-15-31(2)17-25(24)30-28(33)32-11-9-21-14-29-27(23(21)16-32)20-7-8-26-19(13-20)10-12-34-26;1-17-5-3-4-6-21(17)23-14-30(2)16-24(23)29-26(32)31-12-11-19-13-28-25(22(19)15-31)18-7-9-20(27)10-8-18;1-16-6-4-5-7-19(16)21-13-28(2)15-22(21)27-24(31)30-9-8-17-10-25-23(20(17)14-30)18-11-26-29(3)12-18/h2-3,6-11,15,17,22H,4-5,12-14,16,18-20H2,1H3,(H,34,35);2-3,6-9,14,18,20H,4-5,10-13,15-17H2,1H3,(H,32,33);3-8,13,24-25H,9-12,14-17H2,1-2H3,(H,30,33);3-10,23-24H,11-16H2,1-2H3,(H,29,32);4-7,11-12,21-22H,8-10,13-15H2,1-3H3,(H,27,31)/t22-;20-;24-,25?;23-,24?;21-,22?/m00000/s1
InChIKeyRVONIVTWWOHVGS-SALMWTSOSA-N
XLogP21.42
TPSA327.39 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms174
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002353.00
LogP ≤ 521.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide?
The IUPAC name of 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide (CID 160740966) is 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide?
The canonical SMILES for 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide is Cc1ccccc1[C@@H]1CN(C)CC1NC(=O)N1CCC2=C(C1)C(c1ccc(F)cc1)=NC2.Cc1ccccc1[C@@H]1CN(C)CC1NC(=O)N1CCC2=C(C1)C(c1ccc3c(c1)CCO3)=NC2.Cc1ccccc1[C@@H]1CN(C)CC1NC(=O)N1CCC2=C(C1)C(c1cnn(C)c1)=NC2.Cc1nc2cc(-c3n[nH]c4c3CN(C(=O)C[C@@H]3CCCN(Cc5ccc6ccccc6c5)C3)CC4)ccc2o1.Cc1nc2cc(-c3n[nH]c4c3CN(C(=O)C[C@@H]3CCCN(Cc5csc6ccccc56)C3)CC4)ccc2o1.
What is the InChIKey of 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide?
The InChIKey is RVONIVTWWOHVGS-SALMWTSOSA-N. The full InChI is InChI=1S/C32H33N5O2.C30H31N5O2S.C28H32N4O2.C26H29FN4O.C24H30N6O/c1-21-33-29-17-26(10-11-30(29)39-21)32-27-20-37(14-12-28(27)34-35-32)31(38)16-22-5-4-13-36(18-22)19-23-8-9-24-6-2-3-7-25(24)15-23;1-19-31-26-14-21(8-9-27(26)37-19)30-24-17-35(12-10-25(24)32-33-30)29(36)13-20-5-4-11-34(15-20)16-22-18-38-28-7-3-2-6-23(22)28;1-18-5-3-4-6-22(18)24-15-31(2)17-25(24)30-28(33)32-11-9-21-14-29-27(23(21)16-32)20-7-8-26-19(13-20)10-12-34-26;1-17-5-3-4-6-21(17)23-14-30(2)16-24(23)29-26(32)31-12-11-19-13-28-25(22(19)15-31)18-7-9-20(27)10-8-18;1-16-6-4-5-7-19(16)21-13-28(2)15-22(21)27-24(31)30-9-8-17-10-25-23(20(17)14-30)18-11-26-29(3)12-18/h2-3,6-11,15,17,22H,4-5,12-14,16,18-20H2,1H3,(H,34,35);2-3,6-9,14,18,20H,4-5,10-13,15-17H2,1H3,(H,32,33);3-8,13,24-25H,9-12,14-17H2,1-2H3,(H,30,33);3-10,23-24H,11-16H2,1-2H3,(H,29,32);4-7,11-12,21-22H,8-10,13-15H2,1-3H3,(H,27,31)/t22-;20-;24-,25?;23-,24?;21-,22?/m00000/s1.
What are the key properties of 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide?
2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide has a molecular weight of 2353.00 g/mol, XLogP of 21.42, 19 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 160740966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).