8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]

C204H206N32O5S2 — CID 157225556

IUPAC8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
SMILESC1=NC2(CC1)CCc1c(cccc1-c1ccccc1)C2.C1=NC2(CC1)CCc1c(cccc1-c1cccs1)C2.C1=NC2(CC1)CCc1c(cccc1-c1ccoc1)C2.C1=NC2(CC1)CCc1c(cccc1-c1ccsc1)C2.C1=NCC2(CCc3c(cccc3-c3cncnc3)C2)N1.CC1=NC2(CO1)Cc1cccc(-c3cncnc3)c1C2.CC1=NCC2(CCc3c(cccc3-c3cncnc3)C2)N1.CC1=NCC2(CCc3c(cccc3-c3cncnc3)C2)N1.CC1=N[C@@]2(CCc3c(-c4cncnc4)cccc3C2O)CO1.CC1=N[C@]2(CO1)Cc1cccc(-c3cncnc3)c1C2.CN1C=CCC12CCc1c(cccc1-c1cncnc1)C2.CN1C=NC2(CCc3c(cccc3-c3cncnc3)C2)C1
InChIInChI=1S/C19H19N.C18H19N3.3C17H18N4.C17H17N3O2.C17H17NO.2C17H17NS.C16H16N4.2C16H15N3O/c1-2-6-15(7-3-1)17-9-4-8-16-14-19(11-5-13-20-19)12-10-18(16)17;1-21-9-3-7-18(21)8-6-17-14(10-18)4-2-5-16(17)15-11-19-13-20-12-15;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;2*1-12-20-10-17(21-12)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14;1-11-20-17(9-22-11)6-5-14-13(12-7-18-10-19-8-12)3-2-4-15(14)16(17)21;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14;1-4-13-12-17(8-3-10-18-17)9-7-14(13)15(5-1)16-6-2-11-19-16;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14;1-2-12-6-16(9-19-11-20-16)5-4-15(12)14(3-1)13-7-17-10-18-8-13;2*1-11-19-16(9-20-11)5-12-3-2-4-14(15(12)6-16)13-7-17-10-18-8-13/h1-4,6-9,13H,5,10-12,14H2;2-5,9,11-13H,6-8,10H2,1H3;2-4,8-9,11-12H,5-7,10H2,1H3;2*2-4,8-9,11H,5-7,10H2,1H3,(H,20,21);2-4,7-8,10,16,21H,5-6,9H2,1H3;1,3-4,6,9-10,12H,2,5,7-8,11H2;1-2,4-6,10-11H,3,7-9,12H2;1,3-4,6,9-10,12H,2,5,7-8,11H2;1-3,7-8,10-11H,4-6,9H2,(H,19,20);2*2-4,7-8,10H,5-6,9H2,1H3/t;;;;;16?,17-;;;;;16-;/m.....0....1./s1
InChIKeyATMOGKDKSFOORR-GGEIVWELSA-N
MW3250.24 g/mol
LogP37.02
Rot. Bonds12

About 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]

8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (PubChem CID 157225556) has the molecular formula C204H206N32O5S2 and a molecular weight of 3250.24 g/mol. Its IUPAC name is 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].

Molecular Properties

Compound Name8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
PubChem CID157225556
Molecular FormulaC204H206N32O5S2
Molecular Weight3250.24 g/mol
Exact Mass3247.63
IUPAC Name8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
SMILESC1=NC2(CC1)CCc1c(cccc1-c1ccccc1)C2.C1=NC2(CC1)CCc1c(cccc1-c1cccs1)C2.C1=NC2(CC1)CCc1c(cccc1-c1ccoc1)C2.C1=NC2(CC1)CCc1c(cccc1-c1ccsc1)C2.C1=NCC2(CCc3c(cccc3-c3cncnc3)C2)N1.CC1=NC2(CO1)Cc1cccc(-c3cncnc3)c1C2.CC1=NCC2(CCc3c(cccc3-c3cncnc3)C2)N1.CC1=NCC2(CCc3c(cccc3-c3cncnc3)C2)N1.CC1=N[C@@]2(CCc3c(-c4cncnc4)cccc3C2O)CO1.CC1=N[C@]2(CO1)Cc1cccc(-c3cncnc3)c1C2.CN1C=CCC12CCc1c(cccc1-c1cncnc1)C2.CN1C=NC2(CCc3c(cccc3-c3cncnc3)C2)C1
InChIInChI=1S/C19H19N.C18H19N3.3C17H18N4.C17H17N3O2.C17H17NO.2C17H17NS.C16H16N4.2C16H15N3O/c1-2-6-15(7-3-1)17-9-4-8-16-14-19(11-5-13-20-19)12-10-18(16)17;1-21-9-3-7-18(21)8-6-17-14(10-18)4-2-5-16(17)15-11-19-13-20-12-15;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;2*1-12-20-10-17(21-12)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14;1-11-20-17(9-22-11)6-5-14-13(12-7-18-10-19-8-12)3-2-4-15(14)16(17)21;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14;1-4-13-12-17(8-3-10-18-17)9-7-14(13)15(5-1)16-6-2-11-19-16;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14;1-2-12-6-16(9-19-11-20-16)5-4-15(12)14(3-1)13-7-17-10-18-8-13;2*1-11-19-16(9-20-11)5-12-3-2-4-14(15(12)6-16)13-7-17-10-18-8-13/h1-4,6-9,13H,5,10-12,14H2;2-5,9,11-13H,6-8,10H2,1H3;2-4,8-9,11-12H,5-7,10H2,1H3;2*2-4,8-9,11H,5-7,10H2,1H3,(H,20,21);2-4,7-8,10,16,21H,5-6,9H2,1H3;1,3-4,6,9-10,12H,2,5,7-8,11H2;1-2,4-6,10-11H,3,7-9,12H2;1,3-4,6,9-10,12H,2,5,7-8,11H2;1-3,7-8,10-11H,4-6,9H2,(H,19,20);2*2-4,7-8,10H,5-6,9H2,1H3/t;;;;;16?,17-;;;;;16-;/m.....0....1./s1
InChIKeyATMOGKDKSFOORR-GGEIVWELSA-N
XLogP37.02
TPSA445.83 Ų
H-Bond Donors4
H-Bond Acceptors39
Rotatable Bonds12
Heavy Atoms243
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003250.24
LogP ≤ 537.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1039

Analyze 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];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 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
The IUPAC name of 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (CID 157225556) is 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].
What is the SMILES notation for 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
The canonical SMILES for 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is C1=NC2(CC1)CCc1c(cccc1-c1ccccc1)C2.C1=NC2(CC1)CCc1c(cccc1-c1cccs1)C2.C1=NC2(CC1)CCc1c(cccc1-c1ccoc1)C2.C1=NC2(CC1)CCc1c(cccc1-c1ccsc1)C2.C1=NCC2(CCc3c(cccc3-c3cncnc3)C2)N1.CC1=NC2(CO1)Cc1cccc(-c3cncnc3)c1C2.CC1=NCC2(CCc3c(cccc3-c3cncnc3)C2)N1.CC1=NCC2(CCc3c(cccc3-c3cncnc3)C2)N1.CC1=N[C@@]2(CCc3c(-c4cncnc4)cccc3C2O)CO1.CC1=N[C@]2(CO1)Cc1cccc(-c3cncnc3)c1C2.CN1C=CCC12CCc1c(cccc1-c1cncnc1)C2.CN1C=NC2(CCc3c(cccc3-c3cncnc3)C2)C1.
What is the InChIKey of 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
The InChIKey is ATMOGKDKSFOORR-GGEIVWELSA-N. The full InChI is InChI=1S/C19H19N.C18H19N3.3C17H18N4.C17H17N3O2.C17H17NO.2C17H17NS.C16H16N4.2C16H15N3O/c1-2-6-15(7-3-1)17-9-4-8-16-14-19(11-5-13-20-19)12-10-18(16)17;1-21-9-3-7-18(21)8-6-17-14(10-18)4-2-5-16(17)15-11-19-13-20-12-15;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;2*1-12-20-10-17(21-12)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14;1-11-20-17(9-22-11)6-5-14-13(12-7-18-10-19-8-12)3-2-4-15(14)16(17)21;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14;1-4-13-12-17(8-3-10-18-17)9-7-14(13)15(5-1)16-6-2-11-19-16;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14;1-2-12-6-16(9-19-11-20-16)5-4-15(12)14(3-1)13-7-17-10-18-8-13;2*1-11-19-16(9-20-11)5-12-3-2-4-14(15(12)6-16)13-7-17-10-18-8-13/h1-4,6-9,13H,5,10-12,14H2;2-5,9,11-13H,6-8,10H2,1H3;2-4,8-9,11-12H,5-7,10H2,1H3;2*2-4,8-9,11H,5-7,10H2,1H3,(H,20,21);2-4,7-8,10,16,21H,5-6,9H2,1H3;1,3-4,6,9-10,12H,2,5,7-8,11H2;1-2,4-6,10-11H,3,7-9,12H2;1,3-4,6,9-10,12H,2,5,7-8,11H2;1-3,7-8,10-11H,4-6,9H2,(H,19,20);2*2-4,7-8,10H,5-6,9H2,1H3/t;;;;;16?,17-;;;;;16-;/m.....0....1./s1.
What are the key properties of 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] has a molecular weight of 3250.24 g/mol, XLogP of 37.02, 12 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];bis(2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]);(2R)-2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];2'-methyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(2S)-2'-methyl-5-pyrimidin-5-ylspiro[3,4-dihydro-1H-naphthalene-2,4'-5H-1,3-oxazole]-1-ol;1'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-pyrrole];8-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is sourced from PubChem (CID 157225556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).