(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one

C169H246F3N21O23 — CID 158236853

IUPAC(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one
SMILESCCC(=O)N1C[C@@H]2C[C@@H](CC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.CCOC1COCCC1C[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(=O)CC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(=O)CCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(=O)CCCN3CCCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.Cc1cnc2c(c1)CN(C(=O)[C@]13C[C@H](CC4CCOCC4)C[C@H]1CN(C(N)=O)C3)CC2
InChIInChI=1S/C33H47F3N4O4.C30H45N3O4.C29H43N3O4.C27H39N3O4.C26H38N4O4.C24H34N4O3/c1-43-29-21-44-13-8-24(29)14-23-15-27-20-40(30(41)6-5-11-38-9-3-2-4-10-38)22-32(27,17-23)31(42)39-12-7-28-25(19-39)16-26(18-37-28)33(34,35)36;1-20(2)5-6-28(34)33-17-25-13-22(12-23-8-10-37-18-27(23)36-4)14-30(25,19-33)29(35)32-9-7-26-24(16-32)11-21(3)15-31-26;1-19(2)9-27(33)32-16-24-12-21(11-22-6-8-36-17-26(22)35-4)13-29(24,18-32)28(34)31-7-5-25-23(15-31)10-20(3)14-30-25;1-4-25(31)30-15-22-11-19(10-20-6-8-34-16-24(20)33-3)12-27(22,17-30)26(32)29-7-5-23-21(14-29)9-18(2)13-28-23;1-3-34-23-15-33-7-5-19(23)9-18-10-21-14-30(25(27)32)16-26(21,11-18)24(31)29-6-4-22-20(13-29)8-17(2)12-28-22;1-16-8-19-13-27(5-2-21(19)26-12-16)22(29)24-11-18(9-17-3-6-31-7-4-17)10-20(24)14-28(15-24)23(25)30/h16,18,23-24,27,29H,2-15,17,19-22H2,1H3;11,15,20,22-23,25,27H,5-10,12-14,16-19H2,1-4H3;10,14,19,21-22,24,26H,5-9,11-13,15-18H2,1-4H3;9,13,19-20,22,24H,4-8,10-12,14-17H2,1-3H3;8,12,18-19,21,23H,3-7,9-11,13-16H2,1-2H3,(H2,27,32);8,12,17-18,20H,2-7,9-11,13-15H2,1H3,(H2,25,30)/t23-,24?,27+,29?,32+;22-,23?,25+,27?,30+;21-,22?,24+,26?,29+;19-,20?,22+,24?,27+;18-,19?,21+,23?,26+;18-,20+,24+/m111111/s1
InChIKeyGFBJWIWTXPVKRX-CWVLWMGJSA-N
MW2996.94 g/mol
LogP20.16
Rot. Bonds34

About (3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one

(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one (PubChem CID 158236853) has the molecular formula C169H246F3N21O23 and a molecular weight of 2996.94 g/mol. Its IUPAC name is (3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one
PubChem CID158236853
Molecular FormulaC169H246F3N21O23
Molecular Weight2996.94 g/mol
Exact Mass2994.87
IUPAC Name(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one
SMILESCCC(=O)N1C[C@@H]2C[C@@H](CC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.CCOC1COCCC1C[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(=O)CC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(=O)CCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(=O)CCCN3CCCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.Cc1cnc2c(c1)CN(C(=O)[C@]13C[C@H](CC4CCOCC4)C[C@H]1CN(C(N)=O)C3)CC2
InChIInChI=1S/C33H47F3N4O4.C30H45N3O4.C29H43N3O4.C27H39N3O4.C26H38N4O4.C24H34N4O3/c1-43-29-21-44-13-8-24(29)14-23-15-27-20-40(30(41)6-5-11-38-9-3-2-4-10-38)22-32(27,17-23)31(42)39-12-7-28-25(19-39)16-26(18-37-28)33(34,35)36;1-20(2)5-6-28(34)33-17-25-13-22(12-23-8-10-37-18-27(23)36-4)14-30(25,19-33)29(35)32-9-7-26-24(16-32)11-21(3)15-31-26;1-19(2)9-27(33)32-16-24-12-21(11-22-6-8-36-17-26(22)35-4)13-29(24,18-32)28(34)31-7-5-25-23(15-31)10-20(3)14-30-25;1-4-25(31)30-15-22-11-19(10-20-6-8-34-16-24(20)33-3)12-27(22,17-30)26(32)29-7-5-23-21(14-29)9-18(2)13-28-23;1-3-34-23-15-33-7-5-19(23)9-18-10-21-14-30(25(27)32)16-26(21,11-18)24(31)29-6-4-22-20(13-29)8-17(2)12-28-22;1-16-8-19-13-27(5-2-21(19)26-12-16)22(29)24-11-18(9-17-3-6-31-7-4-17)10-20(24)14-28(15-24)23(25)30/h16,18,23-24,27,29H,2-15,17,19-22H2,1H3;11,15,20,22-23,25,27H,5-10,12-14,16-19H2,1-4H3;10,14,19,21-22,24,26H,5-9,11-13,15-18H2,1-4H3;9,13,19-20,22,24H,4-8,10-12,14-17H2,1-3H3;8,12,18-19,21,23H,3-7,9-11,13-16H2,1-2H3,(H2,27,32);8,12,17-18,20H,2-7,9-11,13-15H2,1H3,(H2,25,30)/t23-,24?,27+,29?,32+;22-,23?,25+,27?,30+;21-,22?,24+,26?,29+;19-,20?,22+,24?,27+;18-,19?,21+,23?,26+;18-,20+,24+/m111111/s1
InChIKeyGFBJWIWTXPVKRX-CWVLWMGJSA-N
XLogP20.16
TPSA477.87 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds34
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002996.94
LogP ≤ 520.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze (3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one?
The IUPAC name of (3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one (CID 158236853) is (3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one.
What is the SMILES notation for (3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one?
The canonical SMILES for (3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one is CCC(=O)N1C[C@@H]2C[C@@H](CC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.CCOC1COCCC1C[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(=O)CC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(=O)CCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C)cc3C2)C1.COC1COCCC1C[C@@H]1C[C@H]2CN(C(=O)CCCN3CCCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.Cc1cnc2c(c1)CN(C(=O)[C@]13C[C@H](CC4CCOCC4)C[C@H]1CN(C(N)=O)C3)CC2.
What is the InChIKey of (3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one?
The InChIKey is GFBJWIWTXPVKRX-CWVLWMGJSA-N. The full InChI is InChI=1S/C33H47F3N4O4.C30H45N3O4.C29H43N3O4.C27H39N3O4.C26H38N4O4.C24H34N4O3/c1-43-29-21-44-13-8-24(29)14-23-15-27-20-40(30(41)6-5-11-38-9-3-2-4-10-38)22-32(27,17-23)31(42)39-12-7-28-25(19-39)16-26(18-37-28)33(34,35)36;1-20(2)5-6-28(34)33-17-25-13-22(12-23-8-10-37-18-27(23)36-4)14-30(25,19-33)29(35)32-9-7-26-24(16-32)11-21(3)15-31-26;1-19(2)9-27(33)32-16-24-12-21(11-22-6-8-36-17-26(22)35-4)13-29(24,18-32)28(34)31-7-5-25-23(15-31)10-20(3)14-30-25;1-4-25(31)30-15-22-11-19(10-20-6-8-34-16-24(20)33-3)12-27(22,17-30)26(32)29-7-5-23-21(14-29)9-18(2)13-28-23;1-3-34-23-15-33-7-5-19(23)9-18-10-21-14-30(25(27)32)16-26(21,11-18)24(31)29-6-4-22-20(13-29)8-17(2)12-28-22;1-16-8-19-13-27(5-2-21(19)26-12-16)22(29)24-11-18(9-17-3-6-31-7-4-17)10-20(24)14-28(15-24)23(25)30/h16,18,23-24,27,29H,2-15,17,19-22H2,1H3;11,15,20,22-23,25,27H,5-10,12-14,16-19H2,1-4H3;10,14,19,21-22,24,26H,5-9,11-13,15-18H2,1-4H3;9,13,19-20,22,24H,4-8,10-12,14-17H2,1-3H3;8,12,18-19,21,23H,3-7,9-11,13-16H2,1-2H3,(H2,27,32);8,12,17-18,20H,2-7,9-11,13-15H2,1H3,(H2,25,30)/t23-,24?,27+,29?,32+;22-,23?,25+,27?,30+;21-,22?,24+,26?,29+;19-,20?,22+,24?,27+;18-,19?,21+,23?,26+;18-,20+,24+/m111111/s1.
What are the key properties of (3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one?
(3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one has a molecular weight of 2996.94 g/mol, XLogP of 20.16, 34 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6aR)-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-5-(oxan-4-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,5S,6aR)-5-[(3-ethoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-methylpentan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-(3-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one;1-[(3aR,5S,6aR)-5-[(3-methoxyoxan-4-yl)methyl]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 158236853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).