(3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]

C169H176N30O2S2 — CID 158595392

IUPAC(3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
SMILESC1=NC[C@@]2(CCc3c(cccc3-c3cncnc3)C2)N1.C1=N[C@@]2(CC1)CCc1c(cccc1-c1ccsc1)C2.C1=N[C@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.CC1=N[C@@]2(CC1)CCc1c(cccc1-c1ccco1)C2.CC1=N[C@@]2(CC1)CCc1c(cccc1-c1ccsc1)C2.CN1C=N[C@@]2(CCc3c(cccc3-c3cncnc3)C2)C1.CN1C=N[C@]2(CCc3c(cccc3-c3ccco3)C2)C1.CN1C=N[C@]2(CCc3c(cccc3-c3cncnc3)C2)C1.NC1=NC[C@@]2(CCc3c(cccc3-c3cncnc3)C2)N1.NC1=NC[C@]2(CCc3c(cccc3-c3cncnc3)C2)N1
InChIInChI=1S/C18H19NO.C18H19NS.2C17H18N4.C17H17N3.C17H18N2O.C17H17NS.2C16H17N5.C16H16N4/c1-13-7-9-18(19-13)10-8-15-14(12-18)4-2-5-16(15)17-6-3-11-20-17;1-13-5-8-18(19-13)9-6-17-14(11-18)3-2-4-16(17)15-7-10-20-12-15;2*1-21-10-17(20-12-21)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14;1-3-13-9-17(6-2-8-20-17)7-5-16(13)15(4-1)14-10-18-12-19-11-14;1-19-11-17(18-12-19)8-7-14-13(10-17)4-2-5-15(14)16-6-3-9-20-16;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14;2*17-15-20-9-16(21-15)5-4-14-11(6-16)2-1-3-13(14)12-7-18-10-19-8-12;1-2-12-6-16(9-19-11-20-16)5-4-15(12)14(3-1)13-7-17-10-18-8-13/h2-6,11H,7-10,12H2,1H3;2-4,7,10,12H,5-6,8-9,11H2,1H3;2*2-4,8-9,11-12H,5-7,10H2,1H3;1,3-4,8,10-12H,2,5-7,9H2;2-6,9,12H,7-8,10-11H2,1H3;1,3-4,6,9-10,12H,2,5,7-8,11H2;2*1-3,7-8,10H,4-6,9H2,(H3,17,20,21);1-3,7-8,10-11H,4-6,9H2,(H,19,20)/t2*18-;5*17-;3*16-/m0010100100/s1
InChIKeyHUYQYSJEMSPHPG-JDJRVWIGSA-N
MW2723.61 g/mol
LogP29.49
Rot. Bonds10

About (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]

(3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (PubChem CID 158595392) has the molecular formula C169H176N30O2S2 and a molecular weight of 2723.61 g/mol. Its IUPAC name is (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].

Molecular Properties

Compound Name(3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
PubChem CID158595392
Molecular FormulaC169H176N30O2S2
Molecular Weight2723.61 g/mol
Exact Mass2721.40
IUPAC Name(3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
SMILESC1=NC[C@@]2(CCc3c(cccc3-c3cncnc3)C2)N1.C1=N[C@@]2(CC1)CCc1c(cccc1-c1ccsc1)C2.C1=N[C@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.CC1=N[C@@]2(CC1)CCc1c(cccc1-c1ccco1)C2.CC1=N[C@@]2(CC1)CCc1c(cccc1-c1ccsc1)C2.CN1C=N[C@@]2(CCc3c(cccc3-c3cncnc3)C2)C1.CN1C=N[C@]2(CCc3c(cccc3-c3ccco3)C2)C1.CN1C=N[C@]2(CCc3c(cccc3-c3cncnc3)C2)C1.NC1=NC[C@@]2(CCc3c(cccc3-c3cncnc3)C2)N1.NC1=NC[C@]2(CCc3c(cccc3-c3cncnc3)C2)N1
InChIInChI=1S/C18H19NO.C18H19NS.2C17H18N4.C17H17N3.C17H18N2O.C17H17NS.2C16H17N5.C16H16N4/c1-13-7-9-18(19-13)10-8-15-14(12-18)4-2-5-16(15)17-6-3-11-20-17;1-13-5-8-18(19-13)9-6-17-14(11-18)3-2-4-16(17)15-7-10-20-12-15;2*1-21-10-17(20-12-21)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14;1-3-13-9-17(6-2-8-20-17)7-5-16(13)15(4-1)14-10-18-12-19-11-14;1-19-11-17(18-12-19)8-7-14-13(10-17)4-2-5-15(14)16-6-3-9-20-16;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14;2*17-15-20-9-16(21-15)5-4-14-11(6-16)2-1-3-13(14)12-7-18-10-19-8-12;1-2-12-6-16(9-19-11-20-16)5-4-15(12)14(3-1)13-7-17-10-18-8-13/h2-6,11H,7-10,12H2,1H3;2-4,7,10,12H,5-6,8-9,11H2,1H3;2*2-4,8-9,11-12H,5-7,10H2,1H3;1,3-4,8,10-12H,2,5-7,9H2;2-6,9,12H,7-8,10-11H2,1H3;1,3-4,6,9-10,12H,2,5,7-8,11H2;2*1-3,7-8,10H,4-6,9H2,(H3,17,20,21);1-3,7-8,10-11H,4-6,9H2,(H,19,20)/t2*18-;5*17-;3*16-/m0010100100/s1
InChIKeyHUYQYSJEMSPHPG-JDJRVWIGSA-N
XLogP29.49
TPSA402.41 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds10
Heavy Atoms203
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002723.61
LogP ≤ 529.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
The IUPAC name of (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (CID 158595392) is (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].
What is the SMILES notation for (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
The canonical SMILES for (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is C1=NC[C@@]2(CCc3c(cccc3-c3cncnc3)C2)N1.C1=N[C@@]2(CC1)CCc1c(cccc1-c1ccsc1)C2.C1=N[C@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.CC1=N[C@@]2(CC1)CCc1c(cccc1-c1ccco1)C2.CC1=N[C@@]2(CC1)CCc1c(cccc1-c1ccsc1)C2.CN1C=N[C@@]2(CCc3c(cccc3-c3cncnc3)C2)C1.CN1C=N[C@]2(CCc3c(cccc3-c3ccco3)C2)C1.CN1C=N[C@]2(CCc3c(cccc3-c3cncnc3)C2)C1.NC1=NC[C@@]2(CCc3c(cccc3-c3cncnc3)C2)N1.NC1=NC[C@]2(CCc3c(cccc3-c3cncnc3)C2)N1.
What is the InChIKey of (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
The InChIKey is HUYQYSJEMSPHPG-JDJRVWIGSA-N. The full InChI is InChI=1S/C18H19NO.C18H19NS.2C17H18N4.C17H17N3.C17H18N2O.C17H17NS.2C16H17N5.C16H16N4/c1-13-7-9-18(19-13)10-8-15-14(12-18)4-2-5-16(15)17-6-3-11-20-17;1-13-5-8-18(19-13)9-6-17-14(11-18)3-2-4-16(17)15-7-10-20-12-15;2*1-21-10-17(20-12-21)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14;1-3-13-9-17(6-2-8-20-17)7-5-16(13)15(4-1)14-10-18-12-19-11-14;1-19-11-17(18-12-19)8-7-14-13(10-17)4-2-5-15(14)16-6-3-9-20-16;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14;2*17-15-20-9-16(21-15)5-4-14-11(6-16)2-1-3-13(14)12-7-18-10-19-8-12;1-2-12-6-16(9-19-11-20-16)5-4-15(12)14(3-1)13-7-17-10-18-8-13/h2-6,11H,7-10,12H2,1H3;2-4,7,10,12H,5-6,8-9,11H2,1H3;2*2-4,8-9,11-12H,5-7,10H2,1H3;1,3-4,8,10-12H,2,5-7,9H2;2-6,9,12H,7-8,10-11H2,1H3;1,3-4,6,9-10,12H,2,5,7-8,11H2;2*1-3,7-8,10H,4-6,9H2,(H3,17,20,21);1-3,7-8,10-11H,4-6,9H2,(H,19,20)/t2*18-;5*17-;3*16-/m0010100100/s1.
What are the key properties of (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
(3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] has a molecular weight of 2723.61 g/mol, XLogP of 29.49, 10 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5R)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(5S)-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is sourced from PubChem (CID 158595392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).