2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one

C173H228F6N34O7 — CID 161255797

IUPAC2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
SMILESCC(NC1CCC(Nc2ncc3cc4n(c3n2)C2(CCCCC2)CCC4=O)CC1)c1ccccc1F.O=C1CCC2(CCCCC2)n2c1cc1cnc(NC3CCC(N4CCN(C(=O)C5CC5)CC4)CC3)nc12.O=C1CCC2(CCCCC2)n2c1cc1cnc(NC3CCC(N4CCN(C(F)(F)C5CC5)CC4)CC3)nc12.O=C1CCC2(CCCCC2)n2c1cc1cnc(NC3CCC(N4CCN(CC5CCCC5)CC4)CC3)nc12.O=C1CCC2(CCCCC2)n2c1cc1cnc(NC3CCC(NCc4ccc(F)cc4F)CC3)nc12.O=C1NCC2(CCCCC2)n2c1cc1cnc(NC3CCC(NCc4ccc(F)cc4)CC3)nc12
InChIInChI=1S/C31H46N6O.C29H40F2N6O.C29H36FN5O.C29H40N6O2.C28H33F2N5O.C27H33FN6O/c38-28-12-15-31(13-4-1-5-14-31)37-27(28)20-24-21-32-30(34-29(24)37)33-25-8-10-26(11-9-25)36-18-16-35(17-19-36)22-23-6-2-3-7-23;30-29(31,21-4-5-21)36-16-14-35(15-17-36)23-8-6-22(7-9-23)33-27-32-19-20-18-24-25(38)10-13-28(11-2-1-3-12-28)37(24)26(20)34-27;1-19(23-7-3-4-8-24(23)30)32-21-9-11-22(12-10-21)33-28-31-18-20-17-25-26(36)13-16-29(14-5-2-6-15-29)35(25)27(20)34-28;36-25-10-13-29(11-2-1-3-12-29)35-24(25)18-21-19-30-28(32-26(21)35)31-22-6-8-23(9-7-22)33-14-16-34(17-15-33)27(37)20-4-5-20;29-20-5-4-18(23(30)15-20)16-31-21-6-8-22(9-7-21)33-27-32-17-19-14-24-25(36)10-13-28(11-2-1-3-12-28)35(24)26(19)34-27;28-20-6-4-18(5-7-20)15-29-21-8-10-22(11-9-21)32-26-30-16-19-14-23-25(35)31-17-27(12-2-1-3-13-27)34(23)24(19)33-26/h20-21,23,25-26H,1-19,22H2,(H,32,33,34);18-19,21-23H,1-17H2,(H,32,33,34);3-4,7-8,17-19,21-22,32H,2,5-6,9-16H2,1H3,(H,31,33,34);18-20,22-23H,1-17H2,(H,30,31,32);4-5,14-15,17,21-22,31H,1-3,6-13,16H2,(H,32,33,34);4-7,14,16,21-22,29H,1-3,8-13,15,17H2,(H,31,35)(H,30,32,33)
InChIKeyVBWYDCGEJPITDV-UHFFFAOYSA-N
MW3009.95 g/mol
LogP31.98
Rot. Bonds29

About 2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one

2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one (PubChem CID 161255797) has the molecular formula C173H228F6N34O7 and a molecular weight of 3009.95 g/mol. Its IUPAC name is 2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one.

Molecular Properties

Compound Name2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
PubChem CID161255797
Molecular FormulaC173H228F6N34O7
Molecular Weight3009.95 g/mol
Exact Mass3007.84
IUPAC Name2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
SMILESCC(NC1CCC(Nc2ncc3cc4n(c3n2)C2(CCCCC2)CCC4=O)CC1)c1ccccc1F.O=C1CCC2(CCCCC2)n2c1cc1cnc(NC3CCC(N4CCN(C(=O)C5CC5)CC4)CC3)nc12.O=C1CCC2(CCCCC2)n2c1cc1cnc(NC3CCC(N4CCN(C(F)(F)C5CC5)CC4)CC3)nc12.O=C1CCC2(CCCCC2)n2c1cc1cnc(NC3CCC(N4CCN(CC5CCCC5)CC4)CC3)nc12.O=C1CCC2(CCCCC2)n2c1cc1cnc(NC3CCC(NCc4ccc(F)cc4F)CC3)nc12.O=C1NCC2(CCCCC2)n2c1cc1cnc(NC3CCC(NCc4ccc(F)cc4)CC3)nc12
InChIInChI=1S/C31H46N6O.C29H40F2N6O.C29H36FN5O.C29H40N6O2.C28H33F2N5O.C27H33FN6O/c38-28-12-15-31(13-4-1-5-14-31)37-27(28)20-24-21-32-30(34-29(24)37)33-25-8-10-26(11-9-25)36-18-16-35(17-19-36)22-23-6-2-3-7-23;30-29(31,21-4-5-21)36-16-14-35(15-17-36)23-8-6-22(7-9-23)33-27-32-19-20-18-24-25(38)10-13-28(11-2-1-3-12-28)37(24)26(20)34-27;1-19(23-7-3-4-8-24(23)30)32-21-9-11-22(12-10-21)33-28-31-18-20-17-25-26(36)13-16-29(14-5-2-6-15-29)35(25)27(20)34-28;36-25-10-13-29(11-2-1-3-12-29)35-24(25)18-21-19-30-28(32-26(21)35)31-22-6-8-23(9-7-22)33-14-16-34(17-15-33)27(37)20-4-5-20;29-20-5-4-18(23(30)15-20)16-31-21-6-8-22(9-7-21)33-27-32-17-19-14-24-25(36)10-13-28(11-2-1-3-12-28)35(24)26(19)34-27;28-20-6-4-18(5-7-20)15-29-21-8-10-22(11-9-21)32-26-30-16-19-14-23-25(35)31-17-27(12-2-1-3-13-27)34(23)24(19)33-26/h20-21,23,25-26H,1-19,22H2,(H,32,33,34);18-19,21-23H,1-17H2,(H,32,33,34);3-4,7-8,17-19,21-22,32H,2,5-6,9-16H2,1H3,(H,31,33,34);18-20,22-23H,1-17H2,(H,30,31,32);4-5,14-15,17,21-22,31H,1-3,6-13,16H2,(H,32,33,34);4-7,14,16,21-22,29H,1-3,8-13,15,17H2,(H,31,35)(H,30,32,33)
InChIKeyVBWYDCGEJPITDV-UHFFFAOYSA-N
XLogP31.98
TPSA443.49 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds29
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003009.95
LogP ≤ 531.98
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one?
The IUPAC name of 2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one (CID 161255797) is 2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one.
What is the SMILES notation for 2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one?
The canonical SMILES for 2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one is CC(NC1CCC(Nc2ncc3cc4n(c3n2)C2(CCCCC2)CCC4=O)CC1)c1ccccc1F.O=C1CCC2(CCCCC2)n2c1cc1cnc(NC3CCC(N4CCN(C(=O)C5CC5)CC4)CC3)nc12.O=C1CCC2(CCCCC2)n2c1cc1cnc(NC3CCC(N4CCN(C(F)(F)C5CC5)CC4)CC3)nc12.O=C1CCC2(CCCCC2)n2c1cc1cnc(NC3CCC(N4CCN(CC5CCCC5)CC4)CC3)nc12.O=C1CCC2(CCCCC2)n2c1cc1cnc(NC3CCC(NCc4ccc(F)cc4F)CC3)nc12.O=C1NCC2(CCCCC2)n2c1cc1cnc(NC3CCC(NCc4ccc(F)cc4)CC3)nc12.
What is the InChIKey of 2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one?
The InChIKey is VBWYDCGEJPITDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N6O.C29H40F2N6O.C29H36FN5O.C29H40N6O2.C28H33F2N5O.C27H33FN6O/c38-28-12-15-31(13-4-1-5-14-31)37-27(28)20-24-21-32-30(34-29(24)37)33-25-8-10-26(11-9-25)36-18-16-35(17-19-36)22-23-6-2-3-7-23;30-29(31,21-4-5-21)36-16-14-35(15-17-36)23-8-6-22(7-9-23)33-27-32-19-20-18-24-25(38)10-13-28(11-2-1-3-12-28)37(24)26(20)34-27;1-19(23-7-3-4-8-24(23)30)32-21-9-11-22(12-10-21)33-28-31-18-20-17-25-26(36)13-16-29(14-5-2-6-15-29)35(25)27(20)34-28;36-25-10-13-29(11-2-1-3-12-29)35-24(25)18-21-19-30-28(32-26(21)35)31-22-6-8-23(9-7-22)33-14-16-34(17-15-33)27(37)20-4-5-20;29-20-5-4-18(23(30)15-20)16-31-21-6-8-22(9-7-21)33-27-32-17-19-14-24-25(36)10-13-28(11-2-1-3-12-28)35(24)26(19)34-27;28-20-6-4-18(5-7-20)15-29-21-8-10-22(11-9-21)32-26-30-16-19-14-23-25(35)31-17-27(12-2-1-3-13-27)34(23)24(19)33-26/h20-21,23,25-26H,1-19,22H2,(H,32,33,34);18-19,21-23H,1-17H2,(H,32,33,34);3-4,7-8,17-19,21-22,32H,2,5-6,9-16H2,1H3,(H,31,33,34);18-20,22-23H,1-17H2,(H,30,31,32);4-5,14-15,17,21-22,31H,1-3,6-13,16H2,(H,32,33,34);4-7,14,16,21-22,29H,1-3,8-13,15,17H2,(H,31,35)(H,30,32,33).
What are the key properties of 2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one?
2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one has a molecular weight of 3009.95 g/mol, XLogP of 31.98, 29 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(cyclopentylmethyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[4-[cyclopropyl(difluoro)methyl]piperazin-1-yl]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[(2,4-difluorophenyl)methylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[4-[1-(2-fluorophenyl)ethylamino]cyclohexyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;4-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one is sourced from PubChem (CID 161255797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).