(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate

C171H233Br2F12N21O18 — CID 159202116

IUPAC(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate
SMILESCC(=O)OC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCOCC2)C1.CC(C)C[C@]1(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)CC[C@@H](NC2CCOCC2)C1.CC(C)C[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCOCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(-c4ccccc4)cc3C2)CC[C@@H](NC2CCOCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(Br)cc3C2)CC[C@@H](NC2CCOCC2)C1.COC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(Br)cc3C2)(C(C)C)C1.O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]1(c2ccccc2)CC[C@@H](NC2CCOCC2)C1
InChIInChI=1S/C28H37N3O2.C26H30F3N3O2.C24H32F3N3O4.C24H34F3N3O3.C24H34F3N3O2.C23H34BrN3O3.C22H32BrN3O2/c1-20(2)28(12-8-25(17-28)30-24-10-14-33-15-11-24)27(32)31-13-9-26-23(19-31)16-22(18-29-26)21-6-4-3-5-7-21;27-26(28,29)20-14-18-17-32(11-7-23(18)30-16-20)24(33)25(19-4-2-1-3-5-19)10-6-22(15-25)31-21-8-12-34-13-9-21;1-15(34-16(2)31)23(7-3-20(12-23)29-19-5-9-33-10-6-19)22(32)30-8-4-21-17(14-30)11-18(13-28-21)24(25,26)27;1-16(2)12-23(7-3-20(13-23)28-19-5-9-33-10-6-19)22(31)29-8-4-21-17(14-29)11-18(15-30(21)32)24(25,26)27;1-16(2)12-23(7-3-20(13-23)29-19-5-9-32-10-6-19)22(31)30-8-4-21-17(15-30)11-18(14-28-21)24(25,26)27;1-15(2)23(7-4-18(11-23)26-20-6-9-30-14-21(20)29-3)22(28)27-8-5-19-16(13-27)10-17(24)12-25-19;1-15(2)22(7-3-19(12-22)25-18-5-9-28-10-6-18)21(27)26-8-4-20-16(14-26)11-17(23)13-24-20/h3-7,16,18,20,24-25,30H,8-15,17,19H2,1-2H3;1-5,14,16,21-22,31H,6-13,15,17H2;11,13,15,19-20,29H,3-10,12,14H2,1-2H3;11,15-16,19-20,28H,3-10,12-14H2,1-2H3;11,14,16,19-20,29H,3-10,12-13,15H2,1-2H3;10,12,15,18,20-21,26H,4-9,11,13-14H2,1-3H3;11,13,15,18-19,25H,3-10,12,14H2,1-2H3/t25-,28+;22-,25+;15?,20-,23+;2*20-,23-;18-,20?,21?,23+;19-,22+/m1111111/s1
InChIKeyKPKPWBXZBMZBKU-KRMXUCHASA-N
MW3258.66 g/mol
LogP27.01
Rot. Bonds33

About (3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate

(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate (PubChem CID 159202116) has the molecular formula C171H233Br2F12N21O18 and a molecular weight of 3258.66 g/mol. Its IUPAC name is (3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate.

Molecular Properties

Compound Name(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate
PubChem CID159202116
Molecular FormulaC171H233Br2F12N21O18
Molecular Weight3258.66 g/mol
Exact Mass3254.61
IUPAC Name(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate
SMILESCC(=O)OC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCOCC2)C1.CC(C)C[C@]1(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)CC[C@@H](NC2CCOCC2)C1.CC(C)C[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCOCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(-c4ccccc4)cc3C2)CC[C@@H](NC2CCOCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(Br)cc3C2)CC[C@@H](NC2CCOCC2)C1.COC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(Br)cc3C2)(C(C)C)C1.O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]1(c2ccccc2)CC[C@@H](NC2CCOCC2)C1
InChIInChI=1S/C28H37N3O2.C26H30F3N3O2.C24H32F3N3O4.C24H34F3N3O3.C24H34F3N3O2.C23H34BrN3O3.C22H32BrN3O2/c1-20(2)28(12-8-25(17-28)30-24-10-14-33-15-11-24)27(32)31-13-9-26-23(19-31)16-22(18-29-26)21-6-4-3-5-7-21;27-26(28,29)20-14-18-17-32(11-7-23(18)30-16-20)24(33)25(19-4-2-1-3-5-19)10-6-22(15-25)31-21-8-12-34-13-9-21;1-15(34-16(2)31)23(7-3-20(12-23)29-19-5-9-33-10-6-19)22(32)30-8-4-21-17(14-30)11-18(13-28-21)24(25,26)27;1-16(2)12-23(7-3-20(13-23)28-19-5-9-33-10-6-19)22(31)29-8-4-21-17(14-29)11-18(15-30(21)32)24(25,26)27;1-16(2)12-23(7-3-20(13-23)29-19-5-9-32-10-6-19)22(31)30-8-4-21-17(15-30)11-18(14-28-21)24(25,26)27;1-15(2)23(7-4-18(11-23)26-20-6-9-30-14-21(20)29-3)22(28)27-8-5-19-16(13-27)10-17(24)12-25-19;1-15(2)22(7-3-19(12-22)25-18-5-9-28-10-6-18)21(27)26-8-4-20-16(14-26)11-17(23)13-24-20/h3-7,16,18,20,24-25,30H,8-15,17,19H2,1-2H3;1-5,14,16,21-22,31H,6-13,15,17H2;11,13,15,19-20,29H,3-10,12,14H2,1-2H3;11,15-16,19-20,28H,3-10,12-14H2,1-2H3;11,14,16,19-20,29H,3-10,12-13,15H2,1-2H3;10,12,15,18,20-21,26H,4-9,11,13-14H2,1-3H3;11,13,15,18-19,25H,3-10,12,14H2,1-2H3/t25-,28+;22-,25+;15?,20-,23+;2*20-,23-;18-,20?,21?,23+;19-,22+/m1111111/s1
InChIKeyKPKPWBXZBMZBKU-KRMXUCHASA-N
XLogP27.01
TPSA430.80 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003258.66
LogP ≤ 527.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate?
The IUPAC name of (3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate (CID 159202116) is (3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate.
What is the SMILES notation for (3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate?
The canonical SMILES for (3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate is CC(=O)OC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCOCC2)C1.CC(C)C[C@]1(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)CC[C@@H](NC2CCOCC2)C1.CC(C)C[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCOCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(-c4ccccc4)cc3C2)CC[C@@H](NC2CCOCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(Br)cc3C2)CC[C@@H](NC2CCOCC2)C1.COC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(Br)cc3C2)(C(C)C)C1.O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]1(c2ccccc2)CC[C@@H](NC2CCOCC2)C1.
What is the InChIKey of (3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate?
The InChIKey is KPKPWBXZBMZBKU-KRMXUCHASA-N. The full InChI is InChI=1S/C28H37N3O2.C26H30F3N3O2.C24H32F3N3O4.C24H34F3N3O3.C24H34F3N3O2.C23H34BrN3O3.C22H32BrN3O2/c1-20(2)28(12-8-25(17-28)30-24-10-14-33-15-11-24)27(32)31-13-9-26-23(19-31)16-22(18-29-26)21-6-4-3-5-7-21;27-26(28,29)20-14-18-17-32(11-7-23(18)30-16-20)24(33)25(19-4-2-1-3-5-19)10-6-22(15-25)31-21-8-12-34-13-9-21;1-15(34-16(2)31)23(7-3-20(12-23)29-19-5-9-33-10-6-19)22(32)30-8-4-21-17(14-30)11-18(13-28-21)24(25,26)27;1-16(2)12-23(7-3-20(13-23)28-19-5-9-33-10-6-19)22(31)29-8-4-21-17(14-29)11-18(15-30(21)32)24(25,26)27;1-16(2)12-23(7-3-20(13-23)29-19-5-9-32-10-6-19)22(31)30-8-4-21-17(15-30)11-18(14-28-21)24(25,26)27;1-15(2)23(7-4-18(11-23)26-20-6-9-30-14-21(20)29-3)22(28)27-8-5-19-16(13-27)10-17(24)12-25-19;1-15(2)22(7-3-19(12-22)25-18-5-9-28-10-6-18)21(27)26-8-4-20-16(14-26)11-17(23)13-24-20/h3-7,16,18,20,24-25,30H,8-15,17,19H2,1-2H3;1-5,14,16,21-22,31H,6-13,15,17H2;11,13,15,19-20,29H,3-10,12,14H2,1-2H3;11,15-16,19-20,28H,3-10,12-14H2,1-2H3;11,14,16,19-20,29H,3-10,12-13,15H2,1-2H3;10,12,15,18,20-21,26H,4-9,11,13-14H2,1-3H3;11,13,15,18-19,25H,3-10,12,14H2,1-2H3/t25-,28+;22-,25+;15?,20-,23+;2*20-,23-;18-,20?,21?,23+;19-,22+/m1111111/s1.
What are the key properties of (3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate?
(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate has a molecular weight of 3258.66 g/mol, XLogP of 27.01, 33 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone;(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1R,3R)-1-(2-methylpropyl)-3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-phenylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;1-[(1S,3R)-3-(oxan-4-ylamino)-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate is sourced from PubChem (CID 159202116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).