About (4aS,8aS)-2-(2-oxopropyl)-6-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one;1-methyl-1-[(3S)-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]urea;N-methyl-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;1-phenyl-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]piperidin-1-yl]butan-2-one;1-[3-[6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]azetidin-1-yl]propan-2-one
(4aS,8aS)-2-(2-oxopropyl)-6-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one;1-methyl-1-[(3S)-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]urea;N-methyl-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;1-phenyl-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]piperidin-1-yl]butan-2-one;1-[3-[6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]azetidin-1-yl]propan-2-one (PubChem CID 157331810) has the molecular formula C188H267N27O15
and a molecular weight of 3145.38 g/mol. Its IUPAC name is (4aS,8aS)-2-(2-oxopropyl)-6-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one;1-methyl-1-[(3S)-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]urea;N-methyl-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;1-phenyl-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]piperidin-1-yl]butan-2-one;1-[3-[6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]azetidin-1-yl]propan-2-one.
Frequently Asked Questions
What is the IUPAC name of (4aS,8aS)-2-(2-oxopropyl)-6-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one;1-methyl-1-[(3S)-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]urea;N-methyl-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;1-phenyl-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]piperidin-1-yl]butan-2-one;1-[3-[6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]azetidin-1-yl]propan-2-one?
The IUPAC name of (4aS,8aS)-2-(2-oxopropyl)-6-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one;1-methyl-1-[(3S)-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]urea;N-methyl-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;1-phenyl-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]piperidin-1-yl]butan-2-one;1-[3-[6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]azetidin-1-yl]propan-2-one (CID 157331810) is (4aS,8aS)-2-(2-oxopropyl)-6-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one;1-methyl-1-[(3S)-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]urea;N-methyl-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;1-phenyl-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]piperidin-1-yl]butan-2-one;1-[3-[6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]azetidin-1-yl]propan-2-one.
What is the SMILES notation for (4aS,8aS)-2-(2-oxopropyl)-6-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one;1-methyl-1-[(3S)-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]urea;N-methyl-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;1-phenyl-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]piperidin-1-yl]butan-2-one;1-[3-[6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]azetidin-1-yl]propan-2-one?
The canonical SMILES for (4aS,8aS)-2-(2-oxopropyl)-6-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one;1-methyl-1-[(3S)-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]urea;N-methyl-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;1-phenyl-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]piperidin-1-yl]butan-2-one;1-[3-[6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]azetidin-1-yl]propan-2-one is CC(=O)C(C)N1CCC(NCCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)C(c1ccccc1)N1CC[C@@H](CCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)CN1CC(CCCCCCc2ccc3c(n2)NCCC3)C1.CC(=O)CN1CCC(C(=O)N(C)CCCc2ccc3c(n2)CCCC3)CC1.CC(=O)CN1CC[C@@H]2CC(C(=O)CCc3ccc4c(n3)NCCC4)CC[C@@H]2C1=O.CC(=O)CN1CC[C@H](N(C)C(=O)NCCCCc2ccc3c(n2)NCCC3)C1=O.CC(=O)[C@@H](c1ccccc1)N1CCC(NC(=O)CCCc2ccc3c(n2)NCCC3)CC1.O=C(O)[C@H](c1ccccc1)N1CCC(N2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1.
What is the InChIKey of (4aS,8aS)-2-(2-oxopropyl)-6-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one;1-methyl-1-[(3S)-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]urea;N-methyl-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;1-phenyl-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]piperidin-1-yl]butan-2-one;1-[3-[6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]azetidin-1-yl]propan-2-one?
The InChIKey is BFJJYVBWQMJAKO-VNZROGKCSA-N. The full InChI is InChI=1S/C28H37N3O2.C27H36N2O.C26H34N4O2.C23H31N3O3.C22H33N3O2.C21H31N5O3.C21H34N4O.C20H31N3O/c32-28(33)27(23-7-2-1-3-8-23)31-18-14-25(15-19-31)30-16-12-21(13-17-30)20-24-11-10-22-6-4-5-9-26(22)29-24;1-21(30)27(24-12-5-3-6-13-24)29-19-18-22(20-29)10-4-2-7-14-25-17-16-23-11-8-9-15-26(23)28-25;1-19(31)25(20-7-3-2-4-8-20)30-17-14-23(15-18-30)28-24(32)11-5-10-22-13-12-21-9-6-16-27-26(21)29-22;1-15(27)14-26-12-10-17-13-18(5-8-20(17)23(26)29)21(28)9-7-19-6-4-16-3-2-11-24-22(16)25-19;1-17(26)16-25-14-11-19(12-15-25)22(27)24(2)13-5-7-20-10-9-18-6-3-4-8-21(18)23-20;1-15(27)14-26-13-10-18(20(26)28)25(2)21(29)23-11-4-3-7-17-9-8-16-6-5-12-22-19(16)24-17;1-16(17(2)26)25-14-10-19(11-15-25)22-12-4-3-7-20-9-8-18-6-5-13-23-21(18)24-20;1-16(24)13-23-14-17(15-23)7-4-2-3-5-9-19-11-10-18-8-6-12-21-20(18)22-19/h1-3,7-8,10-11,21,25,27H,4-6,9,12-20H2,(H,32,33);3,5-6,12-13,16-17,22,27H,2,4,7-11,14-15,18-20H2,1H3;2-4,7-8,12-13,23,25H,5-6,9-11,14-18H2,1H3,(H,27,29)(H,28,32);4,6,17-18,20H,2-3,5,7-14H2,1H3,(H,24,25);9-10,19H,3-8,11-16H2,1-2H3;8-9,18H,3-7,10-14H2,1-2H3,(H,22,24)(H,23,29);8-9,16,19,22H,3-7,10-15H2,1-2H3,(H,23,24);10-11,17H,2-9,12-15H2,1H3,(H,21,22)/t27-;22-,27?;25-;17-,18?,20+;;18-;;/m0101.0../s1.
What are the key properties of (4aS,8aS)-2-(2-oxopropyl)-6-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one;1-methyl-1-[(3S)-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]urea;N-methyl-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;1-phenyl-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]piperidin-1-yl]butan-2-one;1-[3-[6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]azetidin-1-yl]propan-2-one?
(4aS,8aS)-2-(2-oxopropyl)-6-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one;1-methyl-1-[(3S)-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]urea;N-methyl-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;1-phenyl-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]piperidin-1-yl]butan-2-one;1-[3-[6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]azetidin-1-yl]propan-2-one has a molecular weight of 3145.38 g/mol, XLogP of 27.18, 61 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-2-(2-oxopropyl)-6-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-one;1-methyl-1-[(3S)-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]urea;N-methyl-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;1-phenyl-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]piperidin-1-yl]butan-2-one;1-[3-[6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]azetidin-1-yl]propan-2-one is sourced from PubChem (CID 157331810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).