(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one

C101H124Cl4N24O12 — CID 161113486

IUPAC(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NC[C@@H](C(=O)N1CCN(c2ccnc3[nH]nc(OCC(O)CO)c23)CC1)c1ccc(Cl)cc1.CC(C)NC[C@@H](C(=O)N1CCN(c2ccnc3[nH]nc(OCCO)c23)CC1)c1ccc(Cl)cc1.CC1(C)CC[C@@H]([C@@H](C(=O)N2CCN(c3c(-c4ccccc4)cnc4[nH]ncc34)CC2)c2ccc(Cl)cc2)N1.N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3[nH]nc(OCC(O)CO)c23)CC1
InChIInChI=1S/C30H33ClN6O.C25H33ClN6O4.C24H31ClN6O3.C22H27ClN6O4/c1-30(2)13-12-25(34-30)26(21-8-10-22(31)11-9-21)29(38)37-16-14-36(15-17-37)27-23(20-6-4-3-5-7-20)18-32-28-24(27)19-33-35-28;1-16(2)28-13-20(17-3-5-18(26)6-4-17)25(35)32-11-9-31(10-12-32)21-7-8-27-23-22(21)24(30-29-23)36-15-19(34)14-33;1-16(2)27-15-19(17-3-5-18(25)6-4-17)24(33)31-11-9-30(10-12-31)20-7-8-26-22-21(20)23(29-28-22)34-14-13-32;23-15-3-1-14(2-4-15)11-17(24)22(32)29-9-7-28(8-10-29)18-5-6-25-20-19(18)21(27-26-20)33-13-16(31)12-30/h3-11,18-19,25-26,34H,12-17H2,1-2H3,(H,32,33,35);3-8,16,19-20,28,33-34H,9-15H2,1-2H3,(H,27,29,30);3-8,16,19,27,32H,9-15H2,1-2H3,(H,26,28,29);1-6,16-17,30-31H,7-13,24H2,(H,25,26,27)/t25-,26-;19?,20-;19-;16?,17-/m0111/s1
InChIKeyUJZUUWOBOYQHSB-YHVQWLQRSA-N
MW2008.07 g/mol
LogP9.99
Rot. Bonds32

About (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one

(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one (PubChem CID 161113486) has the molecular formula C101H124Cl4N24O12 and a molecular weight of 2008.07 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
PubChem CID161113486
Molecular FormulaC101H124Cl4N24O12
Molecular Weight2008.07 g/mol
Exact Mass2004.86
IUPAC Name(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NC[C@@H](C(=O)N1CCN(c2ccnc3[nH]nc(OCC(O)CO)c23)CC1)c1ccc(Cl)cc1.CC(C)NC[C@@H](C(=O)N1CCN(c2ccnc3[nH]nc(OCCO)c23)CC1)c1ccc(Cl)cc1.CC1(C)CC[C@@H]([C@@H](C(=O)N2CCN(c3c(-c4ccccc4)cnc4[nH]ncc34)CC2)c2ccc(Cl)cc2)N1.N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3[nH]nc(OCC(O)CO)c23)CC1
InChIInChI=1S/C30H33ClN6O.C25H33ClN6O4.C24H31ClN6O3.C22H27ClN6O4/c1-30(2)13-12-25(34-30)26(21-8-10-22(31)11-9-21)29(38)37-16-14-36(15-17-37)27-23(20-6-4-3-5-7-20)18-32-28-24(27)19-33-35-28;1-16(2)28-13-20(17-3-5-18(26)6-4-17)25(35)32-11-9-31(10-12-32)21-7-8-27-23-22(21)24(30-29-23)36-15-19(34)14-33;1-16(2)27-15-19(17-3-5-18(25)6-4-17)24(33)31-11-9-30(10-12-31)20-7-8-26-22-21(20)23(29-28-22)34-14-13-32;23-15-3-1-14(2-4-15)11-17(24)22(32)29-9-7-28(8-10-29)18-5-6-25-20-19(18)21(27-26-20)33-13-16(31)12-30/h3-11,18-19,25-26,34H,12-17H2,1-2H3,(H,32,33,35);3-8,16,19-20,28,33-34H,9-15H2,1-2H3,(H,27,29,30);3-8,16,19,27,32H,9-15H2,1-2H3,(H,26,28,29);1-6,16-17,30-31H,7-13,24H2,(H,25,26,27)/t25-,26-;19?,20-;19-;16?,17-/m0111/s1
InChIKeyUJZUUWOBOYQHSB-YHVQWLQRSA-N
XLogP9.99
TPSA451.43 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002008.07
LogP ≤ 59.99
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Analyze (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one with MolForge

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Related Compounds

(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-[(2R)-2,3-dihydroxypropoxy]-5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(3-fluorophenoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;1-[4-[3-[(2R)-2,3-dihydroxypropoxy]-5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 158794004
(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 44193955
(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 44193957
(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one
CID 44193958
(2S)-2-(4-chlorophenyl)-1-[4-[3-[(2S)-2,3-dihydroxypropoxy]-5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 59564934
2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 68758828
[(2S)-2-(4-chlorophenyl)-3-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylcarbamic acid
CID 68758929
[(2R)-2-(4-chlorophenyl)-3-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylcarbamic acid
CID 68758930
(2S)-2-(4-chlorophenyl)-1-[4-[3-[(2S)-2,3-dihydroxypropoxy]-5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 68759129
(2S)-2-(4-chlorophenyl)-1-[4-[3-[(2R)-2,3-dihydroxypropoxy]-5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 68759136
2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 68759137
(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-[(2S)-2,3-dihydroxypropoxy]-5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 68764330

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one (CID 161113486) is (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The canonical SMILES for (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one is CC(C)NC[C@@H](C(=O)N1CCN(c2ccnc3[nH]nc(OCC(O)CO)c23)CC1)c1ccc(Cl)cc1.CC(C)NC[C@@H](C(=O)N1CCN(c2ccnc3[nH]nc(OCCO)c23)CC1)c1ccc(Cl)cc1.CC1(C)CC[C@@H]([C@@H](C(=O)N2CCN(c3c(-c4ccccc4)cnc4[nH]ncc34)CC2)c2ccc(Cl)cc2)N1.N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3[nH]nc(OCC(O)CO)c23)CC1.
What is the InChIKey of (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The InChIKey is UJZUUWOBOYQHSB-YHVQWLQRSA-N. The full InChI is InChI=1S/C30H33ClN6O.C25H33ClN6O4.C24H31ClN6O3.C22H27ClN6O4/c1-30(2)13-12-25(34-30)26(21-8-10-22(31)11-9-21)29(38)37-16-14-36(15-17-37)27-23(20-6-4-3-5-7-20)18-32-28-24(27)19-33-35-28;1-16(2)28-13-20(17-3-5-18(26)6-4-17)25(35)32-11-9-31(10-12-32)21-7-8-27-23-22(21)24(30-29-23)36-15-19(34)14-33;1-16(2)27-15-19(17-3-5-18(25)6-4-17)24(33)31-11-9-30(10-12-31)20-7-8-26-22-21(20)23(29-28-22)34-14-13-32;23-15-3-1-14(2-4-15)11-17(24)22(32)29-9-7-28(8-10-29)18-5-6-25-20-19(18)21(27-26-20)33-13-16(31)12-30/h3-11,18-19,25-26,34H,12-17H2,1-2H3,(H,32,33,35);3-8,16,19-20,28,33-34H,9-15H2,1-2H3,(H,27,29,30);3-8,16,19,27,32H,9-15H2,1-2H3,(H,26,28,29);1-6,16-17,30-31H,7-13,24H2,(H,25,26,27)/t25-,26-;19?,20-;19-;16?,17-/m0111/s1.
What are the key properties of (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one has a molecular weight of 2008.07 g/mol, XLogP of 9.99, 32 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[3-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 161113486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).