2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole

C69H74N14S — CID 158239620

About 2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole

2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole (PubChem CID 158239620) has the molecular formula C69H74N14S and a molecular weight of 1131.52 g/mol. Its IUPAC name is 2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: 2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole
• PubChem CID: 158239620
• Molecular Formula: C69H74N14S
• Molecular Weight: 1131.52 g/mol
• Exact Mass: 1130.59
• IUPAC Name: 2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole
• SMILES: CC1=NC2(CC1)CCc1cccc(-c3cscn3)c1C2.CC1=NC2(Cc3cccc(-c4cncnc4)c3C2)CN1C.CN1C=NC2(CCc3cccc(-c4cncnc4)c3C2)C1.CN1C[C@@]2(CCc3c(cccc3-c3cccnc3)C2)N=C1N
• InChI: InChI=1S/C18H20N4.2C17H18N4.C17H18N2S/c1-22-12-18(21-17(22)19)8-7-16-13(10-18)4-2-6-15(16)14-5-3-9-20-11-14;1-12-20-17(10-21(12)2)6-13-4-3-5-15(16(13)7-17)14-8-18-11-19-9-14;1-21-10-17(20-12-21)6-5-13-3-2-4-15(16(13)7-17)14-8-18-11-19-9-14;1-12-5-7-17(19-12)8-6-13-3-2-4-14(15(13)9-17)16-10-20-11-18-16/h2-6,9,11H,7-8,10,12H2,1H3,(H2,19,21);3-5,8-9,11H,6-7,10H2,1-2H3;2-4,8-9,11-12H,5-7,10H2,1H3;2-4,10-11H,5-9H2,1H3/t18-;;;/m0.../s1
• InChIKey: GFJPEQUANHNLRL-LPECGTQYSA-N
• XLogP: 11.22
• TPSA: 162.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 4
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1131.52
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole?

The IUPAC name of 2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole (CID 158239620) is 2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole.

What is the SMILES notation for 2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole?

The canonical SMILES for 2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole is CC1=NC2(CC1)CCc1cccc(-c3cscn3)c1C2.CC1=NC2(Cc3cccc(-c4cncnc4)c3C2)CN1C.CN1C=NC2(CCc3cccc(-c4cncnc4)c3C2)C1.CN1C[C@@]2(CCc3c(cccc3-c3cccnc3)C2)N=C1N.

What is the InChIKey of 2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole?

The InChIKey is GFJPEQUANHNLRL-LPECGTQYSA-N. The full InChI is InChI=1S/C18H20N4.2C17H18N4.C17H18N2S/c1-22-12-18(21-17(22)19)8-7-16-13(10-18)4-2-6-15(16)14-5-3-9-20-11-14;1-12-20-17(10-21(12)2)6-13-4-3-5-15(16(13)7-17)14-8-18-11-19-9-14;1-21-10-17(20-12-21)6-5-13-3-2-4-15(16(13)7-17)14-8-18-11-19-9-14;1-12-5-7-17(19-12)8-6-13-3-2-4-14(15(13)9-17)16-10-20-11-18-16/h2-6,9,11H,7-8,10,12H2,1H3,(H2,19,21);3-5,8-9,11H,6-7,10H2,1-2H3;2-4,8-9,11-12H,5-7,10H2,1H3;2-4,10-11H,5-9H2,1H3/t18-;;;/m0.../s1.

What are the key properties of 2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole?

2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole has a molecular weight of 1131.52 g/mol, XLogP of 11.22, 4 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole is sourced from PubChem (CID 158239620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).