1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one

C147H141Cl6F5N18O21 — CID 161198197

IUPAC1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one
SMILESCC(=O)OC1CCN(C(=O)[C@@H](CC(=O)c2cc3cc(Cl)ncc3[nH]2)Cc2ccc(F)cc2)CC1.COc1ccc2[nH]cc(CCCC(=O)c3cc4cc(Cl)ncc4[nH]3)c2c1.O=C(C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)O)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(OCc2ccccc2)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC(C(=O)O)C1)c1cc2cc(Cl)ncc2[nH]1.O=C(C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCCC1C(=O)O)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C30H29ClFN3O3.C25H25ClFN3O4.3C24H23ClFN3O4.C20H18ClN3O2/c31-29-17-22-15-26(34-27(22)18-33-29)28(36)16-23(14-20-6-8-24(32)9-7-20)30(37)35-12-10-25(11-13-35)38-19-21-4-2-1-3-5-21;1-15(31)34-20-6-8-30(9-7-20)25(33)18(10-16-2-4-19(27)5-3-16)12-23(32)21-11-17-13-24(26)28-14-22(17)29-21;25-22-12-16-10-19(28-20(16)13-27-22)21(30)11-17(9-14-1-3-18(26)4-2-14)23(31)29-7-5-15(6-8-29)24(32)33;25-22-11-16-9-19(28-20(16)12-27-22)21(30)10-17(8-14-3-5-18(26)6-4-14)23(31)29-7-1-2-15(13-29)24(32)33;25-22-12-15-10-18(28-19(15)13-27-22)21(30)11-16(9-14-4-6-17(26)7-5-14)23(31)29-8-2-1-3-20(29)24(32)33;1-26-14-5-6-16-15(9-14)12(10-22-16)3-2-4-19(25)17-7-13-8-20(21)23-11-18(13)24-17/h1-9,15,17-18,23,25,34H,10-14,16,19H2;2-5,11,13-14,18,20,29H,6-10,12H2,1H3;1-4,10,12-13,15,17,28H,5-9,11H2,(H,32,33);3-6,9,11-12,15,17,28H,1-2,7-8,10,13H2,(H,32,33);4-7,10,12-13,16,20,28H,1-3,8-9,11H2,(H,32,33);5-11,22,24H,2-4H2,1H3/t23-;18-;17-;15?,17-;16-,20?;/m11111./s1
InChIKeyUUQBQLAPZPZNDH-KILPGAQDSA-N
MW2803.56 g/mol
LogP27.72
Rot. Bonds43

About 1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one

1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one (PubChem CID 161198197) has the molecular formula C147H141Cl6F5N18O21 and a molecular weight of 2803.56 g/mol. Its IUPAC name is 1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one
PubChem CID161198197
Molecular FormulaC147H141Cl6F5N18O21
Molecular Weight2803.56 g/mol
Exact Mass2798.86
IUPAC Name1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one
SMILESCC(=O)OC1CCN(C(=O)[C@@H](CC(=O)c2cc3cc(Cl)ncc3[nH]2)Cc2ccc(F)cc2)CC1.COc1ccc2[nH]cc(CCCC(=O)c3cc4cc(Cl)ncc4[nH]3)c2c1.O=C(C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)O)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(OCc2ccccc2)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC(C(=O)O)C1)c1cc2cc(Cl)ncc2[nH]1.O=C(C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCCC1C(=O)O)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C30H29ClFN3O3.C25H25ClFN3O4.3C24H23ClFN3O4.C20H18ClN3O2/c31-29-17-22-15-26(34-27(22)18-33-29)28(36)16-23(14-20-6-8-24(32)9-7-20)30(37)35-12-10-25(11-13-35)38-19-21-4-2-1-3-5-21;1-15(31)34-20-6-8-30(9-7-20)25(33)18(10-16-2-4-19(27)5-3-16)12-23(32)21-11-17-13-24(26)28-14-22(17)29-21;25-22-12-16-10-19(28-20(16)13-27-22)21(30)11-17(9-14-1-3-18(26)4-2-14)23(31)29-7-5-15(6-8-29)24(32)33;25-22-11-16-9-19(28-20(16)12-27-22)21(30)10-17(8-14-3-5-18(26)6-4-14)23(31)29-7-1-2-15(13-29)24(32)33;25-22-12-15-10-18(28-19(15)13-27-22)21(30)11-16(9-14-4-6-17(26)7-5-14)23(31)29-8-2-1-3-20(29)24(32)33;1-26-14-5-6-16-15(9-14)12(10-22-16)3-2-4-19(25)17-7-13-8-20(21)23-11-18(13)24-17/h1-9,15,17-18,23,25,34H,10-14,16,19H2;2-5,11,13-14,18,20,29H,6-10,12H2,1H3;1-4,10,12-13,15,17,28H,5-9,11H2,(H,32,33);3-6,9,11-12,15,17,28H,1-2,7-8,10,13H2,(H,32,33);4-7,10,12-13,16,20,28H,1-3,8-9,11H2,(H,32,33);5-11,22,24H,2-4H2,1H3/t23-;18-;17-;15?,17-;16-,20?;/m11111./s1
InChIKeyUUQBQLAPZPZNDH-KILPGAQDSA-N
XLogP27.72
TPSA548.50 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds43
Heavy Atoms197
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002803.56
LogP ≤ 527.72
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one?
The IUPAC name of 1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one (CID 161198197) is 1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one?
The canonical SMILES for 1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one is CC(=O)OC1CCN(C(=O)[C@@H](CC(=O)c2cc3cc(Cl)ncc3[nH]2)Cc2ccc(F)cc2)CC1.COc1ccc2[nH]cc(CCCC(=O)c3cc4cc(Cl)ncc4[nH]3)c2c1.O=C(C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)O)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(OCc2ccccc2)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC(C(=O)O)C1)c1cc2cc(Cl)ncc2[nH]1.O=C(C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCCC1C(=O)O)c1cc2cc(Cl)ncc2[nH]1.
What is the InChIKey of 1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one?
The InChIKey is UUQBQLAPZPZNDH-KILPGAQDSA-N. The full InChI is InChI=1S/C30H29ClFN3O3.C25H25ClFN3O4.3C24H23ClFN3O4.C20H18ClN3O2/c31-29-17-22-15-26(34-27(22)18-33-29)28(36)16-23(14-20-6-8-24(32)9-7-20)30(37)35-12-10-25(11-13-35)38-19-21-4-2-1-3-5-21;1-15(31)34-20-6-8-30(9-7-20)25(33)18(10-16-2-4-19(27)5-3-16)12-23(32)21-11-17-13-24(26)28-14-22(17)29-21;25-22-12-16-10-19(28-20(16)13-27-22)21(30)11-17(9-14-1-3-18(26)4-2-14)23(31)29-7-5-15(6-8-29)24(32)33;25-22-11-16-9-19(28-20(16)12-27-22)21(30)10-17(8-14-3-5-18(26)6-4-14)23(31)29-7-1-2-15(13-29)24(32)33;25-22-12-15-10-18(28-19(15)13-27-22)21(30)11-16(9-14-4-6-17(26)7-5-14)23(31)29-8-2-1-3-20(29)24(32)33;1-26-14-5-6-16-15(9-14)12(10-22-16)3-2-4-19(25)17-7-13-8-20(21)23-11-18(13)24-17/h1-9,15,17-18,23,25,34H,10-14,16,19H2;2-5,11,13-14,18,20,29H,6-10,12H2,1H3;1-4,10,12-13,15,17,28H,5-9,11H2,(H,32,33);3-6,9,11-12,15,17,28H,1-2,7-8,10,13H2,(H,32,33);4-7,10,12-13,16,20,28H,1-3,8-9,11H2,(H,32,33);5-11,22,24H,2-4H2,1H3/t23-;18-;17-;15?,17-;16-,20?;/m11111./s1.
What are the key properties of 1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one?
1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one has a molecular weight of 2803.56 g/mol, XLogP of 27.72, 43 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 161198197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).