2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one

C113H144N28O5 — CID 157420825

About 2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one

2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one (PubChem CID 157420825) has the molecular formula C113H144N28O5 and a molecular weight of 1974.59 g/mol. Its IUPAC name is 2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one.

Molecular Properties

• Compound Name: 2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one
• PubChem CID: 157420825
• Molecular Formula: C113H144N28O5
• Molecular Weight: 1974.59 g/mol
• Exact Mass: 1973.19
• IUPAC Name: 2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one
• SMILES: CC1(C)CN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CCC5=O)nc2)CCN1C1CC1.CC1CCN(C2CCN(c3ccc(Nc4ncc5cc6n(c5n4)C4(CCCCC4)CCC6=O)nc3)CC2)CC1.O=C1CCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cn3)nc12.O=C1CCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCNCC4)cn3)nc12
• InChI: InChI=1S/C31H41N7O.C29H37N7O2.C29H37N7O.C24H29N7O/c1-22-8-15-36(16-9-22)24-10-17-37(18-11-24)25-5-6-28(32-21-25)34-30-33-20-23-19-26-27(39)7-14-31(12-3-2-4-13-31)38(26)29(23)35-30;37-25-6-11-29(9-2-1-3-10-29)36-24(25)18-21-19-31-28(33-27(21)36)32-26-5-4-23(20-30-26)34-12-7-22(8-13-34)35-14-16-38-17-15-35;1-28(2)19-34(14-15-35(28)21-6-7-21)22-8-9-25(30-18-22)32-27-31-17-20-16-23-24(37)10-13-29(11-4-3-5-12-29)36(23)26(20)33-27;32-20-6-9-24(7-2-1-3-8-24)31-19(20)14-17-15-27-23(29-22(17)31)28-21-5-4-18(16-26-21)30-12-10-25-11-13-30/h5-6,19-22,24H,2-4,7-18H2,1H3,(H,32,33,34,35);4-5,18-20,22H,1-3,6-17H2,(H,30,31,32,33);8-9,16-18,21H,3-7,10-15,19H2,1-2H3,(H,30,31,32,33);4-5,14-16,25H,1-3,6-13H2,(H,26,27,28,29)
• InChIKey: BPJOSNANXOTVPW-UHFFFAOYSA-N
• XLogP: 19.30
• TPSA: 334.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 15
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1974.59
LogP ≤ 5	19.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one?

The IUPAC name of 2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one (CID 157420825) is 2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one.

What is the SMILES notation for 2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one?

The canonical SMILES for 2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one is CC1(C)CN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CCC5=O)nc2)CCN1C1CC1.CC1CCN(C2CCN(c3ccc(Nc4ncc5cc6n(c5n4)C4(CCCCC4)CCC6=O)nc3)CC2)CC1.O=C1CCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cn3)nc12.O=C1CCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCNCC4)cn3)nc12.

What is the InChIKey of 2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one?

The InChIKey is BPJOSNANXOTVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O.C29H37N7O2.C29H37N7O.C24H29N7O/c1-22-8-15-36(16-9-22)24-10-17-37(18-11-24)25-5-6-28(32-21-25)34-30-33-20-23-19-26-27(39)7-14-31(12-3-2-4-13-31)38(26)29(23)35-30;37-25-6-11-29(9-2-1-3-10-29)36-24(25)18-21-19-31-28(33-27(21)36)32-26-5-4-23(20-30-26)34-12-7-22(8-13-34)35-14-16-38-17-15-35;1-28(2)19-34(14-15-35(28)21-6-7-21)22-8-9-25(30-18-22)32-27-31-17-20-16-23-24(37)10-13-29(11-4-3-5-12-29)36(23)26(20)33-27;32-20-6-9-24(7-2-1-3-8-24)31-19(20)14-17-15-27-23(29-22(17)31)28-21-5-4-18(16-26-21)30-12-10-25-11-13-30/h5-6,19-22,24H,2-4,7-18H2,1H3,(H,32,33,34,35);4-5,18-20,22H,1-3,6-17H2,(H,30,31,32,33);8-9,16-18,21H,3-7,10-15,19H2,1-2H3,(H,30,31,32,33);4-5,14-16,25H,1-3,6-13H2,(H,26,27,28,29).

What are the key properties of 2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one?

2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one has a molecular weight of 1974.59 g/mol, XLogP of 19.30, 15 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one is sourced from PubChem (CID 157420825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).