About 4-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine
4-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine (PubChem CID 161097547) has the molecular formula C140H182N38O7S
and a molecular weight of 2541.32 g/mol. Its IUPAC name is 4-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine.
Frequently Asked Questions
What is the IUPAC name of 4-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine?
The IUPAC name of 4-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine (CID 161097547) is 4-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine.
What is the SMILES notation for 4-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine?
The canonical SMILES for 4-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine is C1=NC2=C(c3nc(Nc4ccc(N5CCC(N6CCOCC6)CC5)cn4)ncc3C2)C2(C1)CCCCC2.C1=Nc2nn3cnc(Nc4ccc(N5CCC(N6CCOCC6)CC5)cn4)nc3c2C2(C1)CCCCC2.O=C1CCC2(CCCCC2)c2c3nc(Nc4ccc(N5CCC(N6CCOCC6)CC5)cn4)ncc3nn21.c1cc(Nc2ncc3oc4c(c3n2)C2(CCCCC2)CCN4)ncc1N1CCC(N2CCOCC2)CC1.c1cc(Nc2ncc3sc4c(c3n2)C2(CCCCC2)CCN4)ncc1N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine?
The InChIKey is UHZJXDFPTSSSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O.C28H36N8O2.C28H37N7O2.C28H37N7OS.C27H35N9O/c1-2-8-29(9-3-1)10-11-30-24-18-21-19-32-28(34-27(21)26(24)29)33-25-5-4-23(20-31-25)35-12-6-22(7-13-35)36-14-16-37-17-15-36;37-24-6-11-28(9-2-1-3-10-28)26-25-22(33-36(24)26)19-30-27(32-25)31-23-5-4-21(18-29-23)34-12-7-20(8-13-34)35-14-16-38-17-15-35;2*1-2-8-28(9-3-1)10-11-29-26-24(28)25-22(37-26)19-31-27(33-25)32-23-5-4-21(18-30-23)34-12-6-20(7-13-34)35-14-16-36-17-15-35;1-2-8-27(9-3-1)10-11-28-24-23(27)25-32-26(30-19-36(25)33-24)31-22-5-4-21(18-29-22)34-12-6-20(7-13-34)35-14-16-37-17-15-35/h4-5,11,19-20,22H,1-3,6-10,12-18H2,(H,31,32,33,34);4-5,18-20H,1-3,6-17H2,(H,29,31,32);2*4-5,18-20,29H,1-3,6-17H2,(H,30,31,32,33);4-5,11,18-20H,1-3,6-10,12-17H2,(H,29,31,32).
What are the key properties of 4-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine?
4-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine has a molecular weight of 2541.32 g/mol, XLogP of 22.21, 20 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine is sourced from PubChem (CID 161097547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).