7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid

C133H182BrCl3F9N33O23 — CID 161312492

IUPAC7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccnc(Cl)c2[N+](=O)[O-])C1.CC(C)(C)OC(=O)N[C@@H]1CCCNC1.CN.CN1C(=O)Cc2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21.CNc1nccc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1N.CNc1nccc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-].Cn1c(=O)n(Cc2cc(F)ccc2F)c2c(N3CCC[C@@H](N)C3)ccnc21.Cn1c(=O)n(Cc2cc(F)ccc2F)c2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21.Fc1ccc(F)c(CBr)c1.O=C(O)C(F)(F)F.O=[N+]([O-])c1c(Cl)ccnc1Cl
InChIInChI=1S/C24H29F2N5O3.C19H21F2N5O.C18H26N4O3.C16H25N5O4.C16H27N5O2.C15H21ClN4O4.C10H20N2O2.C7H5BrF2.C5H2Cl2N2O2.C2HF3O2.CH5N/c1-24(2,3)34-22(32)28-17-6-5-11-30(14-17)19-9-10-27-21-20(19)31(23(33)29(21)4)13-15-12-16(25)7-8-18(15)26;1-24-18-17(16(6-7-23-18)25-8-2-3-14(22)11-25)26(19(24)27)10-12-9-13(20)4-5-15(12)21;1-18(2,3)25-17(24)20-12-6-5-9-22(11-12)14-7-8-19-16-13(14)10-15(23)21(16)4;1-16(2,3)25-15(22)19-11-6-5-9-20(10-11)12-7-8-18-14(17-4)13(12)21(23)24;1-16(2,3)23-15(22)20-11-6-5-9-21(10-11)12-7-8-19-14(18-4)13(12)17;1-15(2,3)24-14(21)18-10-5-4-8-19(9-10)11-6-7-17-13(16)12(11)20(22)23;1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;8-4-5-3-6(9)1-2-7(5)10;6-3-1-2-8-5(7)4(3)9(10)11;3-2(4,5)1(6)7;1-2/h7-10,12,17H,5-6,11,13-14H2,1-4H3,(H,28,32);4-7,9,14H,2-3,8,10-11,22H2,1H3;7-8,12H,5-6,9-11H2,1-4H3,(H,20,24);7-8,11H,5-6,9-10H2,1-4H3,(H,17,18)(H,19,22);7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,19)(H,20,22);6-7,10H,4-5,8-9H2,1-3H3,(H,18,21);8,11H,4-7H2,1-3H3,(H,12,13);1-3H,4H2;1-2H;(H,6,7);2H2,1H3/t17-;14-;12-;2*11-;10-;8-;;;;/m1111111..../s1
InChIKeyTXDVMMNUXZVMCE-BEPZAALFSA-N
MW2968.37 g/mol
LogP22.13
Rot. Bonds22

About 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid

7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid (PubChem CID 161312492) has the molecular formula C133H182BrCl3F9N33O23 and a molecular weight of 2968.37 g/mol. Its IUPAC name is 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid
PubChem CID161312492
Molecular FormulaC133H182BrCl3F9N33O23
Molecular Weight2968.37 g/mol
Exact Mass2964.22
IUPAC Name7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccnc(Cl)c2[N+](=O)[O-])C1.CC(C)(C)OC(=O)N[C@@H]1CCCNC1.CN.CN1C(=O)Cc2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21.CNc1nccc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1N.CNc1nccc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-].Cn1c(=O)n(Cc2cc(F)ccc2F)c2c(N3CCC[C@@H](N)C3)ccnc21.Cn1c(=O)n(Cc2cc(F)ccc2F)c2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21.Fc1ccc(F)c(CBr)c1.O=C(O)C(F)(F)F.O=[N+]([O-])c1c(Cl)ccnc1Cl
InChIInChI=1S/C24H29F2N5O3.C19H21F2N5O.C18H26N4O3.C16H25N5O4.C16H27N5O2.C15H21ClN4O4.C10H20N2O2.C7H5BrF2.C5H2Cl2N2O2.C2HF3O2.CH5N/c1-24(2,3)34-22(32)28-17-6-5-11-30(14-17)19-9-10-27-21-20(19)31(23(33)29(21)4)13-15-12-16(25)7-8-18(15)26;1-24-18-17(16(6-7-23-18)25-8-2-3-14(22)11-25)26(19(24)27)10-12-9-13(20)4-5-15(12)21;1-18(2,3)25-17(24)20-12-6-5-9-22(11-12)14-7-8-19-16-13(14)10-15(23)21(16)4;1-16(2,3)25-15(22)19-11-6-5-9-20(10-11)12-7-8-18-14(17-4)13(12)21(23)24;1-16(2,3)23-15(22)20-11-6-5-9-21(10-11)12-7-8-19-14(18-4)13(12)17;1-15(2,3)24-14(21)18-10-5-4-8-19(9-10)11-6-7-17-13(16)12(11)20(22)23;1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;8-4-5-3-6(9)1-2-7(5)10;6-3-1-2-8-5(7)4(3)9(10)11;3-2(4,5)1(6)7;1-2/h7-10,12,17H,5-6,11,13-14H2,1-4H3,(H,28,32);4-7,9,14H,2-3,8,10-11,22H2,1H3;7-8,12H,5-6,9-11H2,1-4H3,(H,20,24);7-8,11H,5-6,9-10H2,1-4H3,(H,17,18)(H,19,22);7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,19)(H,20,22);6-7,10H,4-5,8-9H2,1-3H3,(H,18,21);8,11H,4-7H2,1-3H3,(H,12,13);1-3H,4H2;1-2H;(H,6,7);2H2,1H3/t17-;14-;12-;2*11-;10-;8-;;;;/m1111111..../s1
InChIKeyTXDVMMNUXZVMCE-BEPZAALFSA-N
XLogP22.13
TPSA694.69 Ų
H-Bond Donors13
H-Bond Acceptors45
Rotatable Bonds22
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002968.37
LogP ≤ 522.13
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid (CID 161312492) is 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccnc(Cl)c2[N+](=O)[O-])C1.CC(C)(C)OC(=O)N[C@@H]1CCCNC1.CN.CN1C(=O)Cc2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21.CNc1nccc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1N.CNc1nccc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-].Cn1c(=O)n(Cc2cc(F)ccc2F)c2c(N3CCC[C@@H](N)C3)ccnc21.Cn1c(=O)n(Cc2cc(F)ccc2F)c2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21.Fc1ccc(F)c(CBr)c1.O=C(O)C(F)(F)F.O=[N+]([O-])c1c(Cl)ccnc1Cl.
What is the InChIKey of 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is TXDVMMNUXZVMCE-BEPZAALFSA-N. The full InChI is InChI=1S/C24H29F2N5O3.C19H21F2N5O.C18H26N4O3.C16H25N5O4.C16H27N5O2.C15H21ClN4O4.C10H20N2O2.C7H5BrF2.C5H2Cl2N2O2.C2HF3O2.CH5N/c1-24(2,3)34-22(32)28-17-6-5-11-30(14-17)19-9-10-27-21-20(19)31(23(33)29(21)4)13-15-12-16(25)7-8-18(15)26;1-24-18-17(16(6-7-23-18)25-8-2-3-14(22)11-25)26(19(24)27)10-12-9-13(20)4-5-15(12)21;1-18(2,3)25-17(24)20-12-6-5-9-22(11-12)14-7-8-19-16-13(14)10-15(23)21(16)4;1-16(2,3)25-15(22)19-11-6-5-9-20(10-11)12-7-8-18-14(17-4)13(12)21(23)24;1-16(2,3)23-15(22)20-11-6-5-9-21(10-11)12-7-8-19-14(18-4)13(12)17;1-15(2,3)24-14(21)18-10-5-4-8-19(9-10)11-6-7-17-13(16)12(11)20(22)23;1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;8-4-5-3-6(9)1-2-7(5)10;6-3-1-2-8-5(7)4(3)9(10)11;3-2(4,5)1(6)7;1-2/h7-10,12,17H,5-6,11,13-14H2,1-4H3,(H,28,32);4-7,9,14H,2-3,8,10-11,22H2,1H3;7-8,12H,5-6,9-11H2,1-4H3,(H,20,24);7-8,11H,5-6,9-10H2,1-4H3,(H,17,18)(H,19,22);7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,19)(H,20,22);6-7,10H,4-5,8-9H2,1-3H3,(H,18,21);8,11H,4-7H2,1-3H3,(H,12,13);1-3H,4H2;1-2H;(H,6,7);2H2,1H3/t17-;14-;12-;2*11-;10-;8-;;;;/m1111111..../s1.
What are the key properties of 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid?
7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 2968.37 g/mol, XLogP of 22.13, 22 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one;2-(bromomethyl)-1,4-difluorobenzene;tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[(2,5-difluorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161312492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).