(4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate

C101H141N11O28 — CID 161459970

IUPAC(4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate
SMILESC1C[C@H]2CC3(C[C@H]2CN1)OCCO3.CC(C)(C)OC(=O)N1CC[C@H]2CC3(C[C@H]2C1)OCCO3.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@@H]4C[C@H]5CCN(C)C[C@H]5C4)c4c3OCC4)nc2N1C1CCCC1.COC(=O)C1C(=O)C(C(=O)OC)C2C(C(=O)OC)C(=O)C(C(=O)OC)C12.O=C1CC2CC(=O)CC2C1.O=C1C[C@H]2CC3(C[C@H]2CN1)OCCO3.O=C1C[C@H]2CNC(=O)C[C@H]2C1.O=CC=O
InChIInChI=1S/C32H43N7O3.C16H18O10.C15H25NO4.C10H15NO3.C10H17NO2.C8H11NO2.C8H10O2.C2H2O2/c1-4-26-31(41)38(3)27-17-33-32(36-29(27)39(26)22-7-5-6-8-22)35-25-10-9-24(23-12-14-42-28(23)25)30(40)34-21-15-19-11-13-37(2)18-20(19)16-21;1-23-13(19)7-5-6(9(11(7)17)15(21)25-3)10(16(22)26-4)12(18)8(5)14(20)24-2;1-14(2,3)20-13(17)16-5-4-11-8-15(9-12(11)10-16)18-6-7-19-15;12-9-3-7-4-10(13-1-2-14-10)5-8(7)6-11-9;1-2-11-7-9-6-10(5-8(1)9)12-3-4-13-10;10-7-1-5-3-8(11)9-4-6(5)2-7;9-7-1-5-2-8(10)4-6(5)3-7;3-1-2-4/h9-10,17,19-22,26H,4-8,11-16,18H2,1-3H3,(H,34,40)(H,33,35,36);5-10H,1-4H3;11-12H,4-10H2,1-3H3;7-8H,1-6H2,(H,11,12);8-9,11H,1-7H2;5-6H,1-4H2,(H,9,11);5-6H,1-4H2;1-2H/t19-,20-,21-,26-;;11-,12-;7-,8-;8-,9-;5-,6+;;/m1.0001../s1
InChIKeyWBRAEOVUOXWOID-SANPKHDISA-N
MW1957.29 g/mol
LogP6.51
Rot. Bonds11

About (4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate

(4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate (PubChem CID 161459970) has the molecular formula C101H141N11O28 and a molecular weight of 1957.29 g/mol. Its IUPAC name is (4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate.

Molecular Properties

Compound Name(4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate
PubChem CID161459970
Molecular FormulaC101H141N11O28
Molecular Weight1957.29 g/mol
Exact Mass1955.99
IUPAC Name(4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate
SMILESC1C[C@H]2CC3(C[C@H]2CN1)OCCO3.CC(C)(C)OC(=O)N1CC[C@H]2CC3(C[C@H]2C1)OCCO3.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@@H]4C[C@H]5CCN(C)C[C@H]5C4)c4c3OCC4)nc2N1C1CCCC1.COC(=O)C1C(=O)C(C(=O)OC)C2C(C(=O)OC)C(=O)C(C(=O)OC)C12.O=C1CC2CC(=O)CC2C1.O=C1C[C@H]2CC3(C[C@H]2CN1)OCCO3.O=C1C[C@H]2CNC(=O)C[C@H]2C1.O=CC=O
InChIInChI=1S/C32H43N7O3.C16H18O10.C15H25NO4.C10H15NO3.C10H17NO2.C8H11NO2.C8H10O2.C2H2O2/c1-4-26-31(41)38(3)27-17-33-32(36-29(27)39(26)22-7-5-6-8-22)35-25-10-9-24(23-12-14-42-28(23)25)30(40)34-21-15-19-11-13-37(2)18-20(19)16-21;1-23-13(19)7-5-6(9(11(7)17)15(21)25-3)10(16(22)26-4)12(18)8(5)14(20)24-2;1-14(2,3)20-13(17)16-5-4-11-8-15(9-12(11)10-16)18-6-7-19-15;12-9-3-7-4-10(13-1-2-14-10)5-8(7)6-11-9;1-2-11-7-9-6-10(5-8(1)9)12-3-4-13-10;10-7-1-5-3-8(11)9-4-6(5)2-7;9-7-1-5-2-8(10)4-6(5)3-7;3-1-2-4/h9-10,17,19-22,26H,4-8,11-16,18H2,1-3H3,(H,34,40)(H,33,35,36);5-10H,1-4H3;11-12H,4-10H2,1-3H3;7-8H,1-6H2,(H,11,12);8-9,11H,1-7H2;5-6H,1-4H2,(H,9,11);5-6H,1-4H2;1-2H/t19-,20-,21-,26-;;11-,12-;7-,8-;8-,9-;5-,6+;;/m1.0001../s1
InChIKeyWBRAEOVUOXWOID-SANPKHDISA-N
XLogP6.51
TPSA482.77 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds11
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001957.29
LogP ≤ 56.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate?
The IUPAC name of (4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate (CID 161459970) is (4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate.
What is the SMILES notation for (4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate?
The canonical SMILES for (4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate is C1C[C@H]2CC3(C[C@H]2CN1)OCCO3.CC(C)(C)OC(=O)N1CC[C@H]2CC3(C[C@H]2C1)OCCO3.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@@H]4C[C@H]5CCN(C)C[C@H]5C4)c4c3OCC4)nc2N1C1CCCC1.COC(=O)C1C(=O)C(C(=O)OC)C2C(C(=O)OC)C(=O)C(C(=O)OC)C12.O=C1CC2CC(=O)CC2C1.O=C1C[C@H]2CC3(C[C@H]2CN1)OCCO3.O=C1C[C@H]2CNC(=O)C[C@H]2C1.O=CC=O.
What is the InChIKey of (4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate?
The InChIKey is WBRAEOVUOXWOID-SANPKHDISA-N. The full InChI is InChI=1S/C32H43N7O3.C16H18O10.C15H25NO4.C10H15NO3.C10H17NO2.C8H11NO2.C8H10O2.C2H2O2/c1-4-26-31(41)38(3)27-17-33-32(36-29(27)39(26)22-7-5-6-8-22)35-25-10-9-24(23-12-14-42-28(23)25)30(40)34-21-15-19-11-13-37(2)18-20(19)16-21;1-23-13(19)7-5-6(9(11(7)17)15(21)25-3)10(16(22)26-4)12(18)8(5)14(20)24-2;1-14(2,3)20-13(17)16-5-4-11-8-15(9-12(11)10-16)18-6-7-19-15;12-9-3-7-4-10(13-1-2-14-10)5-8(7)6-11-9;1-2-11-7-9-6-10(5-8(1)9)12-3-4-13-10;10-7-1-5-3-8(11)9-4-6(5)2-7;9-7-1-5-2-8(10)4-6(5)3-7;3-1-2-4/h9-10,17,19-22,26H,4-8,11-16,18H2,1-3H3,(H,34,40)(H,33,35,36);5-10H,1-4H3;11-12H,4-10H2,1-3H3;7-8H,1-6H2,(H,11,12);8-9,11H,1-7H2;5-6H,1-4H2,(H,9,11);5-6H,1-4H2;1-2H/t19-,20-,21-,26-;;11-,12-;7-,8-;8-,9-;5-,6+;;/m1.0001../s1.
What are the key properties of (4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate?
(4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate has a molecular weight of 1957.29 g/mol, XLogP of 6.51, 11 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aR)-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione;1,3,3a,4,6,6a-hexahydropentalene-2,5-dione;N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;(4aS,7aR)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane];(4'aR,7'aR)-spiro[1,3-dioxolane-2,6'-2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-3'-one;tert-butyl (4'aS,7'aR)-spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine]-2'-carboxylate;oxaldehyde;tetramethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3,4,6-tetracarboxylate is sourced from PubChem (CID 161459970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).