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

C102H105N15OS2 — CID 159924921

About (3R)-8-(furan-2-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(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)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(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 159924921) has the molecular formula C102H105N15OS2 and a molecular weight of 1621.20 g/mol. Its IUPAC name is (3R)-8-(furan-2-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(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)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(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: 159924921
• Molecular Formula: C102H105N15OS2
• Molecular Weight: 1621.20 g/mol
• Exact Mass: 1619.81
• IUPAC Name: (3R)-8-(furan-2-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(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]
• SMILES: C1=N[C@@]2(CC1)CCc1c(cccc1-c1ccco1)C2.C1=N[C@@]2(CC1)CCc1c(cccc1-c1ccsc1)C2.C1=N[C@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.CC1=NC[C@@]2(CCc3c(cccc3-c3ccsc3)C2)N1.CC1=NC[C@@]2(CCc3c(cccc3-c3cncnc3)C2)N1.CC1=NC[C@]2(CCc3c(cccc3-c3cncnc3)C2)N1
• InChI: InChI=1S/2C17H18N4.C17H17N3.C17H18N2S.C17H17NO.C17H17NS/c2*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;1-3-13-9-17(6-2-8-20-17)7-5-16(13)15(4-1)14-10-18-12-19-11-14;1-12-18-11-17(19-12)7-5-16-13(9-17)3-2-4-15(16)14-6-8-20-10-14;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/h2*2-4,8-9,11H,5-7,10H2,1H3,(H,20,21);1,3-4,8,10-12H,2,5-7,9H2;2-4,6,8,10H,5,7,9,11H2,1H3,(H,18,19);1-2,4-6,10-11H,3,7-9,12H2;1,3-4,6,9-10,12H,2,5,7-8,11H2/t6*17-/m101000/s1
• InChIKey: NYWRSFDYPJACIS-ARIHXOCRSA-N
• XLogP: 20.23
• TPSA: 200.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1621.20
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(furan-2-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(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)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(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 159924921) is (3R)-8-(furan-2-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(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)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(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)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(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=N[C@@]2(CC1)CCc1c(cccc1-c1ccco1)C2.C1=N[C@@]2(CC1)CCc1c(cccc1-c1ccsc1)C2.C1=N[C@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.CC1=NC[C@@]2(CCc3c(cccc3-c3ccsc3)C2)N1.CC1=NC[C@@]2(CCc3c(cccc3-c3cncnc3)C2)N1.CC1=NC[C@]2(CCc3c(cccc3-c3cncnc3)C2)N1.

What is the InChIKey of (3R)-8-(furan-2-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(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 NYWRSFDYPJACIS-ARIHXOCRSA-N. The full InChI is InChI=1S/2C17H18N4.C17H17N3.C17H18N2S.C17H17NO.C17H17NS/c2*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;1-3-13-9-17(6-2-8-20-17)7-5-16(13)15(4-1)14-10-18-12-19-11-14;1-12-18-11-17(19-12)7-5-16-13(9-17)3-2-4-15(16)14-6-8-20-10-14;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/h2*2-4,8-9,11H,5-7,10H2,1H3,(H,20,21);1,3-4,8,10-12H,2,5-7,9H2;2-4,6,8,10H,5,7,9,11H2,1H3,(H,18,19);1-2,4-6,10-11H,3,7-9,12H2;1,3-4,6,9-10,12H,2,5,7-8,11H2/t6*17-/m101000/s1.

What are the key properties of (3R)-8-(furan-2-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(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)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(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 1621.20 g/mol, XLogP of 20.23, 6 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-8-(furan-2-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(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 159924921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).