9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

C161H147F12N41O8S — CID 161397278

About 9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 161397278) has the molecular formula C161H147F12N41O8S and a molecular weight of 3044.27 g/mol. Its IUPAC name is 9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

• Compound Name: 9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• PubChem CID: 161397278
• Molecular Formula: C161H147F12N41O8S
• Molecular Weight: 3044.27 g/mol
• Exact Mass: 3042.19
• IUPAC Name: 9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• SMILES: CN1Cc2cnc3ccc(-c4ccc(CO)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4ccc(CO)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4ccc(N)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4ccsc4)nc3c2N(c2ccc(C(C)(C)C#N)cc2)C1=O.CN1Cc2cnc3ccc(-c4cnn(C)c4)nc3c2N(c2ccc(C(C)(C)C#N)cc2)C1=O.Cc1ccc(-c2ccc3ncc4c(c3n2)N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C(=O)N(C)C4)cn1
• InChI: InChI=1S/2C28H26F3N7O2.C28H26F3N7O.C27H25F3N8O.C25H23N7O.C25H21N5OS/c2*1-36-15-18-14-34-23-6-5-22(17-2-3-19(16-39)33-13-17)35-25(23)26(18)38(27(36)40)20-4-7-24(21(12-20)28(29,30)31)37-10-8-32-9-11-37;1-17-3-4-18(14-33-17)22-6-7-23-25(35-22)26-19(15-34-23)16-36(2)27(39)38(26)20-5-8-24(21(13-20)28(29,30)31)37-11-9-32-10-12-37;1-36-15-17-14-33-21-5-4-20(16-2-7-23(31)34-13-16)35-24(21)25(17)38(26(36)39)18-3-6-22(19(12-18)27(28,29)30)37-10-8-32-9-11-37;1-25(2,15-26)18-5-7-19(8-6-18)32-23-17(13-30(3)24(32)33)11-27-21-10-9-20(29-22(21)23)16-12-28-31(4)14-16;1-25(2,15-26)18-4-6-19(7-5-18)30-23-17(13-29(3)24(30)31)12-27-21-9-8-20(28-22(21)23)16-10-11-32-14-16/h2*2-7,12-14,32,39H,8-11,15-16H2,1H3;3-8,13-15,32H,9-12,16H2,1-2H3;2-7,12-14,32H,8-11,15H2,1H3,(H2,31,34);5-12,14H,13H2,1-4H3;4-12,14H,13H2,1-3H3
• InChIKey: VTTPNUGMSKYKPE-UHFFFAOYSA-N
• XLogP: 28.57
• TPSA: 540.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 20
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3044.27
LogP ≤ 5	28.57
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The IUPAC name of 9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 161397278) is 9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

What is the SMILES notation for 9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The canonical SMILES for 9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is CN1Cc2cnc3ccc(-c4ccc(CO)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4ccc(CO)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4ccc(N)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4ccsc4)nc3c2N(c2ccc(C(C)(C)C#N)cc2)C1=O.CN1Cc2cnc3ccc(-c4cnn(C)c4)nc3c2N(c2ccc(C(C)(C)C#N)cc2)C1=O.Cc1ccc(-c2ccc3ncc4c(c3n2)N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C(=O)N(C)C4)cn1.

What is the InChIKey of 9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The InChIKey is VTTPNUGMSKYKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H26F3N7O2.C28H26F3N7O.C27H25F3N8O.C25H23N7O.C25H21N5OS/c2*1-36-15-18-14-34-23-6-5-22(17-2-3-19(16-39)33-13-17)35-25(23)26(18)38(27(36)40)20-4-7-24(21(12-20)28(29,30)31)37-10-8-32-9-11-37;1-17-3-4-18(14-33-17)22-6-7-23-25(35-22)26-19(15-34-23)16-36(2)27(39)38(26)20-5-8-24(21(13-20)28(29,30)31)37-11-9-32-10-12-37;1-36-15-17-14-33-21-5-4-20(16-2-7-23(31)34-13-16)35-24(21)25(17)38(26(36)39)18-3-6-22(19(12-18)27(28,29)30)37-10-8-32-9-11-37;1-25(2,15-26)18-5-7-19(8-6-18)32-23-17(13-30(3)24(32)33)11-27-21-10-9-20(29-22(21)23)16-12-28-31(4)14-16;1-25(2,15-26)18-4-6-19(7-5-18)30-23-17(13-29(3)24(30)31)12-27-21-9-8-20(28-22(21)23)16-10-11-32-14-16/h2*2-7,12-14,32,39H,8-11,15-16H2,1H3;3-8,13-15,32H,9-12,16H2,1-2H3;2-7,12-14,32H,8-11,15H2,1H3,(H2,31,34);5-12,14H,13H2,1-4H3;4-12,14H,13H2,1-3H3.

What are the key properties of 9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 3044.27 g/mol, XLogP of 28.57, 20 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);2-methyl-2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;3-methyl-9-(6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 161397278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).