N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide

C187H248Cl12N30O24 — CID 159398285

IUPACN-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide
SMILESC[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC(C)(O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC(O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCC[C@@H](O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCC[C@H](O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC[C@@H](O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC[C@H](O)C2)CC1)N1CCCC1
InChIInChI=1S/2C32H43Cl2N5O4.3C31H41Cl2N5O4.C30H39Cl2N5O4/c2*1-22(37-13-2-3-14-37)21-43-29-7-4-12-35-30(29)23-10-16-38(17-11-23)31(41)28(18-24-8-9-25(33)19-27(24)34)36-32(42)39-15-5-6-26(40)20-39;1-21(36-12-3-4-13-36)18-42-27-6-5-11-34-28(27)22-9-14-37(15-10-22)29(39)26(16-23-7-8-24(32)17-25(23)33)35-30(40)38-19-31(2,41)20-38;2*1-21(36-12-2-3-13-36)20-42-28-5-4-11-34-29(28)22-8-14-37(15-9-22)30(40)27(17-23-6-7-24(32)18-26(23)33)35-31(41)38-16-10-25(39)19-38;1-20(35-11-2-3-12-35)19-41-27-5-4-10-33-28(27)21-8-13-36(14-9-21)29(39)26(34-30(40)37-17-24(38)18-37)15-22-6-7-23(31)16-25(22)32/h2*4,7-9,12,19,22-23,26,28,40H,2-3,5-6,10-11,13-18,20-21H2,1H3,(H,36,42);5-8,11,17,21-22,26,41H,3-4,9-10,12-16,18-20H2,1-2H3,(H,35,40);2*4-7,11,18,21-22,25,27,39H,2-3,8-10,12-17,19-20H2,1H3,(H,35,41);4-7,10,16,20-21,24,26,38H,2-3,8-9,11-15,17-19H2,1H3,(H,34,40)/t22-,26+,28-;22-,26-,28-;21-,26-;21-,25+,27-;21-,25-,27-;20-,26-/m111111/s1
InChIKeyLMZZQALISNNRPV-USAUVEPISA-N
MW3725.66 g/mol
LogP26.46
Rot. Bonds54

About N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide

N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 159398285) has the molecular formula C187H248Cl12N30O24 and a molecular weight of 3725.66 g/mol. Its IUPAC name is N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID159398285
Molecular FormulaC187H248Cl12N30O24
Molecular Weight3725.66 g/mol
Exact Mass3717.54
IUPAC NameN-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide
SMILESC[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC(C)(O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC(O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCC[C@@H](O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCC[C@H](O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC[C@@H](O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC[C@H](O)C2)CC1)N1CCCC1
InChIInChI=1S/2C32H43Cl2N5O4.3C31H41Cl2N5O4.C30H39Cl2N5O4/c2*1-22(37-13-2-3-14-37)21-43-29-7-4-12-35-30(29)23-10-16-38(17-11-23)31(41)28(18-24-8-9-25(33)19-27(24)34)36-32(42)39-15-5-6-26(40)20-39;1-21(36-12-3-4-13-36)18-42-27-6-5-11-34-28(27)22-9-14-37(15-10-22)29(39)26(16-23-7-8-24(32)17-25(23)33)35-30(40)38-19-31(2,41)20-38;2*1-21(36-12-2-3-13-36)20-42-28-5-4-11-34-29(28)22-8-14-37(15-9-22)30(40)27(17-23-6-7-24(32)18-26(23)33)35-31(41)38-16-10-25(39)19-38;1-20(35-11-2-3-12-35)19-41-27-5-4-10-33-28(27)21-8-13-36(14-9-21)29(39)26(34-30(40)37-17-24(38)18-37)15-22-6-7-23(31)16-25(22)32/h2*4,7-9,12,19,22-23,26,28,40H,2-3,5-6,10-11,13-18,20-21H2,1H3,(H,36,42);5-8,11,17,21-22,26,41H,3-4,9-10,12-16,18-20H2,1-2H3,(H,35,40);2*4-7,11,18,21-22,25,27,39H,2-3,8-10,12-17,19-20H2,1H3,(H,35,41);4-7,10,16,20-21,24,26,38H,2-3,8-9,11-15,17-19H2,1H3,(H,34,40)/t22-,26+,28-;22-,26-,28-;21-,26-;21-,25+,27-;21-,25-,27-;20-,26-/m111111/s1
InChIKeyLMZZQALISNNRPV-USAUVEPISA-N
XLogP26.46
TPSA589.44 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds54
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003725.66
LogP ≤ 526.46
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide (CID 159398285) is N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide is C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC(C)(O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC(O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCC[C@@H](O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCC[C@H](O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC[C@@H](O)C2)CC1)N1CCCC1.C[C@H](COc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CC[C@H](O)C2)CC1)N1CCCC1.
What is the InChIKey of N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is LMZZQALISNNRPV-USAUVEPISA-N. The full InChI is InChI=1S/2C32H43Cl2N5O4.3C31H41Cl2N5O4.C30H39Cl2N5O4/c2*1-22(37-13-2-3-14-37)21-43-29-7-4-12-35-30(29)23-10-16-38(17-11-23)31(41)28(18-24-8-9-25(33)19-27(24)34)36-32(42)39-15-5-6-26(40)20-39;1-21(36-12-3-4-13-36)18-42-27-6-5-11-34-28(27)22-9-14-37(15-10-22)29(39)26(16-23-7-8-24(32)17-25(23)33)35-30(40)38-19-31(2,41)20-38;2*1-21(36-12-2-3-13-36)20-42-28-5-4-11-34-29(28)22-8-14-37(15-9-22)30(40)27(17-23-6-7-24(32)18-26(23)33)35-31(41)38-16-10-25(39)19-38;1-20(35-11-2-3-12-35)19-41-27-5-4-10-33-28(27)21-8-13-36(14-9-21)29(39)26(34-30(40)37-17-24(38)18-37)15-22-6-7-23(31)16-25(22)32/h2*4,7-9,12,19,22-23,26,28,40H,2-3,5-6,10-11,13-18,20-21H2,1H3,(H,36,42);5-8,11,17,21-22,26,41H,3-4,9-10,12-16,18-20H2,1-2H3,(H,35,40);2*4-7,11,18,21-22,25,27,39H,2-3,8-10,12-17,19-20H2,1H3,(H,35,41);4-7,10,16,20-21,24,26,38H,2-3,8-9,11-15,17-19H2,1H3,(H,34,40)/t22-,26+,28-;22-,26-,28-;21-,26-;21-,25+,27-;21-,25-,27-;20-,26-/m111111/s1.
What are the key properties of N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide?
N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 3725.66 g/mol, XLogP of 26.46, 54 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxyazetidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 159398285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).