3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol

C89H104N20O13 — CID 164984530

About 3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol

3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol (PubChem CID 164984530) has the molecular formula C89H104N20O13 and a molecular weight of 1661.94 g/mol. Its IUPAC name is 3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol.

Molecular Properties

• Compound Name: 3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol
• PubChem CID: 164984530
• Molecular Formula: C89H104N20O13
• Molecular Weight: 1661.94 g/mol
• Exact Mass: 1660.81
• IUPAC Name: 3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol
• SMILES: Cc1ncnc2c1ccn2C1CC2(COC(CCc3ccc(N)nc3)C2)C(O)C1O.Cc1ncnc2c1ccn2C1CC2(COC(CCc3ccn4ccnc4c3)C2)C(O)C1O.Cc1ncnc2c1ccn2C1CC2(COC(Cc3ccc(N)nc3)C2)C(O)C1O.Cc1ncnc2c1ccn2C1CC2(COC(c3cnc4c(c3)COCN4)C2)C(O)C1O
• InChI: InChI=1S/C24H27N5O3.C22H25N5O4.C22H27N5O3.C21H25N5O3/c1-15-18-5-8-29(23(18)27-14-26-15)19-12-24(22(31)21(19)30)11-17(32-13-24)3-2-16-4-7-28-9-6-25-20(28)10-16;1-12-15-2-3-27(21(15)25-10-24-12)16-5-22(19(29)18(16)28)6-17(31-9-22)13-4-14-8-30-11-26-20(14)23-7-13;1-13-16-6-7-27(21(16)26-12-25-13)17-9-22(20(29)19(17)28)8-15(30-11-22)4-2-14-3-5-18(23)24-10-14;1-12-15-4-5-26(20(15)25-11-24-12)16-8-21(19(28)18(16)27)7-14(29-10-21)6-13-2-3-17(22)23-9-13/h4-10,14,17,19,21-22,30-31H,2-3,11-13H2,1H3;2-4,7,10,16-19,28-29H,5-6,8-9,11H2,1H3,(H,23,26);3,5-7,10,12,15,17,19-20,28-29H,2,4,8-9,11H2,1H3,(H2,23,24);2-5,9,11,14,16,18-19,27-28H,6-8,10H2,1H3,(H2,22,23)
• InChIKey: FYUJRFDVLRRNTD-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 450.87 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 13
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1661.94
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol?

The IUPAC name of 3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol (CID 164984530) is 3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol.

What is the SMILES notation for 3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol?

The canonical SMILES for 3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol is Cc1ncnc2c1ccn2C1CC2(COC(CCc3ccc(N)nc3)C2)C(O)C1O.Cc1ncnc2c1ccn2C1CC2(COC(CCc3ccn4ccnc4c3)C2)C(O)C1O.Cc1ncnc2c1ccn2C1CC2(COC(Cc3ccc(N)nc3)C2)C(O)C1O.Cc1ncnc2c1ccn2C1CC2(COC(c3cnc4c(c3)COCN4)C2)C(O)C1O.

What is the InChIKey of 3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol?

The InChIKey is FYUJRFDVLRRNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3.C22H25N5O4.C22H27N5O3.C21H25N5O3/c1-15-18-5-8-29(23(18)27-14-26-15)19-12-24(22(31)21(19)30)11-17(32-13-24)3-2-16-4-7-28-9-6-25-20(28)10-16;1-12-15-2-3-27(21(15)25-10-24-12)16-5-22(19(29)18(16)28)6-17(31-9-22)13-4-14-8-30-11-26-20(14)23-7-13;1-13-16-6-7-27(21(16)26-12-25-13)17-9-22(20(29)19(17)28)8-15(30-11-22)4-2-14-3-5-18(23)24-10-14;1-12-15-4-5-26(20(15)25-11-24-12)16-8-21(19(28)18(16)27)7-14(29-10-21)6-13-2-3-17(22)23-9-13/h4-10,14,17,19,21-22,30-31H,2-3,11-13H2,1H3;2-4,7,10,16-19,28-29H,5-6,8-9,11H2,1H3,(H,23,26);3,5-7,10,12,15,17,19-20,28-29H,2,4,8-9,11H2,1H3,(H2,23,24);2-5,9,11,14,16,18-19,27-28H,6-8,10H2,1H3,(H2,22,23).

What are the key properties of 3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol?

3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol has a molecular weight of 1661.94 g/mol, XLogP of 7.50, 13 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol is sourced from PubChem (CID 164984530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).