bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

C161H251N33O7 — CID 158651947

IUPACbis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC(C)c1ccc(N2CCC(=O)N(C)CC2)c(CN(C)C)n1.CC(C)c1ccc(N2CCOCC(C(C)(C)O)C2)cn1.CC(C)c1ccc(N2CCOC[C@@H](C(C)(C)O)C2)cn1.CC(C)c1ccc(N2CCOC[C@H](C(C)(C)O)C2)cn1.CC(C)c1cccc(N2CCC3CNCC32)n1.CC(C)c1cccc(N2CC[C@@H]3CNC[C@@H]32)n1.CC(C)c1cccc(N2CC[C@@H]3CNC[C@@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CNC[C@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CNC[C@H]32)n1.CC(C)c1ccnc(N2CCC3CNCC32)n1.CC(C)c1ccnc(N2CC[C@H]3CNC[C@@H]32)n1
InChIInChI=1S/C17H28N4O.3C16H26N2O2.5C14H21N3.2C13H20N4/c1-13(2)14-6-7-16(15(18-14)12-19(3)4)21-9-8-17(22)20(5)10-11-21;3*1-12(2)15-6-5-14(9-17-15)18-7-8-20-11-13(10-18)16(3,4)19;5*1-10(2)12-4-3-5-14(16-12)17-7-6-11-8-15-9-13(11)17;2*1-9(2)11-3-5-15-13(16-11)17-6-4-10-7-14-8-12(10)17/h6-7,13H,8-12H2,1-5H3;3*5-6,9,12-13,19H,7-8,10-11H2,1-4H3;5*3-5,10-11,13,15H,6-9H2,1-2H3;2*3,5,9-10,12,14H,4,6-8H2,1-2H3/t;2*13-;;4*11-,13+;;10-,12-;/m.10.1100.0./s1
InChIKeyIBQXXLYIHBFJBP-LRQNSLCPSA-N
MW2761.00 g/mol
LogP22.03
Rot. Bonds27

About bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 158651947) has the molecular formula C161H251N33O7 and a molecular weight of 2761.00 g/mol. Its IUPAC name is bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Namebis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID158651947
Molecular FormulaC161H251N33O7
Molecular Weight2761.00 g/mol
Exact Mass2759.03
IUPAC Namebis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC(C)c1ccc(N2CCC(=O)N(C)CC2)c(CN(C)C)n1.CC(C)c1ccc(N2CCOCC(C(C)(C)O)C2)cn1.CC(C)c1ccc(N2CCOC[C@@H](C(C)(C)O)C2)cn1.CC(C)c1ccc(N2CCOC[C@H](C(C)(C)O)C2)cn1.CC(C)c1cccc(N2CCC3CNCC32)n1.CC(C)c1cccc(N2CC[C@@H]3CNC[C@@H]32)n1.CC(C)c1cccc(N2CC[C@@H]3CNC[C@@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CNC[C@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CNC[C@H]32)n1.CC(C)c1ccnc(N2CCC3CNCC32)n1.CC(C)c1ccnc(N2CC[C@H]3CNC[C@@H]32)n1
InChIInChI=1S/C17H28N4O.3C16H26N2O2.5C14H21N3.2C13H20N4/c1-13(2)14-6-7-16(15(18-14)12-19(3)4)21-9-8-17(22)20(5)10-11-21;3*1-12(2)15-6-5-14(9-17-15)18-7-8-20-11-13(10-18)16(3,4)19;5*1-10(2)12-4-3-5-14(16-12)17-7-6-11-8-15-9-13(11)17;2*1-9(2)11-3-5-15-13(16-11)17-6-4-10-7-14-8-12(10)17/h6-7,13H,8-12H2,1-5H3;3*5-6,9,12-13,19H,7-8,10-11H2,1-4H3;5*3-5,10-11,13,15H,6-9H2,1-2H3;2*3,5,9-10,12,14H,4,6-8H2,1-2H3/t;2*13-;;4*11-,13+;;10-,12-;/m.10.1100.0./s1
InChIKeyIBQXXLYIHBFJBP-LRQNSLCPSA-N
XLogP22.03
TPSA399.35 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds27
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002761.00
LogP ≤ 522.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Analyze bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (CID 158651947) is bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is CC(C)c1ccc(N2CCC(=O)N(C)CC2)c(CN(C)C)n1.CC(C)c1ccc(N2CCOCC(C(C)(C)O)C2)cn1.CC(C)c1ccc(N2CCOC[C@@H](C(C)(C)O)C2)cn1.CC(C)c1ccc(N2CCOC[C@H](C(C)(C)O)C2)cn1.CC(C)c1cccc(N2CCC3CNCC32)n1.CC(C)c1cccc(N2CC[C@@H]3CNC[C@@H]32)n1.CC(C)c1cccc(N2CC[C@@H]3CNC[C@@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CNC[C@H]32)n1.CC(C)c1cccc(N2CC[C@H]3CNC[C@H]32)n1.CC(C)c1ccnc(N2CCC3CNCC32)n1.CC(C)c1ccnc(N2CC[C@H]3CNC[C@@H]32)n1.
What is the InChIKey of bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is IBQXXLYIHBFJBP-LRQNSLCPSA-N. The full InChI is InChI=1S/C17H28N4O.3C16H26N2O2.5C14H21N3.2C13H20N4/c1-13(2)14-6-7-16(15(18-14)12-19(3)4)21-9-8-17(22)20(5)10-11-21;3*1-12(2)15-6-5-14(9-17-15)18-7-8-20-11-13(10-18)16(3,4)19;5*1-10(2)12-4-3-5-14(16-12)17-7-6-11-8-15-9-13(11)17;2*1-9(2)11-3-5-15-13(16-11)17-6-4-10-7-14-8-12(10)17/h6-7,13H,8-12H2,1-5H3;3*5-6,9,12-13,19H,7-8,10-11H2,1-4H3;5*3-5,10-11,13,15H,6-9H2,1-2H3;2*3,5,9-10,12,14H,4,6-8H2,1-2H3/t;2*13-;;4*11-,13+;;10-,12-;/m.10.1100.0./s1.
What are the key properties of bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 2761.00 g/mol, XLogP of 22.03, 27 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3aR,6aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);bis((3aS,6aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);(3aS,6aR)-1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-methyl-1,4-diazepan-5-one;1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;2-[4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6S)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;2-[(6R)-4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepan-6-yl]propan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 158651947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).