9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

C166H155F18N51O8 — CID 159641423

IUPAC9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESCN1CCN(c2ccc(-c3ccc4ncc5c(c4n3)N(c3ccc(N4CCNCC4)c(C(F)(F)F)c3)C(=O)N(C)C5)cn2)CC1.CN1Cc2cnc3ccc(-c4cnc(CO)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4cnc(N)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.COc1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C(=O)N(C)C4)cn1.Cc1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C(=O)N(C)C4)cn1.[C-]#[N+]c1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C(=O)N(C)C4)cn1
InChIInChI=1S/C32H34F3N9O.C27H22F3N9O.2C27H25F3N8O2.C27H25F3N8O.C26H24F3N9O/c1-40-13-15-43(16-14-40)28-8-3-21(18-38-28)25-5-6-26-29(39-25)30-22(19-37-26)20-41(2)31(45)44(30)23-4-7-27(24(17-23)32(33,34)35)42-11-9-36-10-12-42;1-31-25-34-12-16(13-35-25)20-4-5-21-23(36-20)24-17(14-33-21)15-37(2)26(40)39(24)18-3-6-22(19(11-18)27(28,29)30)38-9-7-32-8-10-38;1-36-15-17-14-32-21-5-4-20(16-12-33-25(40-2)34-13-16)35-23(21)24(17)38(26(36)39)18-3-6-22(19(11-18)27(28,29)30)37-9-7-31-8-10-37;1-36-14-17-13-32-21-4-3-20(16-11-33-23(15-39)34-12-16)35-24(21)25(17)38(26(36)40)18-2-5-22(19(10-18)27(28,29)30)37-8-6-31-7-9-37;1-16-32-12-17(13-33-16)21-4-5-22-24(35-21)25-18(14-34-22)15-36(2)26(39)38(25)19-3-6-23(20(11-19)27(28,29)30)37-9-7-31-8-10-37;1-36-14-16-13-32-20-4-3-19(15-11-33-24(30)34-12-15)35-22(20)23(16)38(25(36)39)17-2-5-21(18(10-17)26(27,28)29)37-8-6-31-7-9-37/h3-8,17-19,36H,9-16,20H2,1-2H3;3-6,11-14,32H,7-10,15H2,2H3;3-6,11-14,31H,7-10,15H2,1-2H3;2-5,10-13,31,39H,6-9,14-15H2,1H3;3-6,11-14,31H,7-10,15H2,1-2H3;2-5,10-13,31H,6-9,14H2,1H3,(H2,30,33,34)
InChIKeyMQKBMLFBHHRPKE-UHFFFAOYSA-N
MW3334.38 g/mol
LogP25.61
Rot. Bonds21

About 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 159641423) has the molecular formula C166H155F18N51O8 and a molecular weight of 3334.38 g/mol. Its IUPAC name is 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
PubChem CID159641423
Molecular FormulaC166H155F18N51O8
Molecular Weight3334.38 g/mol
Exact Mass3332.30
IUPAC Name9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESCN1CCN(c2ccc(-c3ccc4ncc5c(c4n3)N(c3ccc(N4CCNCC4)c(C(F)(F)F)c3)C(=O)N(C)C5)cn2)CC1.CN1Cc2cnc3ccc(-c4cnc(CO)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4cnc(N)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.COc1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C(=O)N(C)C4)cn1.Cc1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C(=O)N(C)C4)cn1.[C-]#[N+]c1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C(=O)N(C)C4)cn1
InChIInChI=1S/C32H34F3N9O.C27H22F3N9O.2C27H25F3N8O2.C27H25F3N8O.C26H24F3N9O/c1-40-13-15-43(16-14-40)28-8-3-21(18-38-28)25-5-6-26-29(39-25)30-22(19-37-26)20-41(2)31(45)44(30)23-4-7-27(24(17-23)32(33,34)35)42-11-9-36-10-12-42;1-31-25-34-12-16(13-35-25)20-4-5-21-23(36-20)24-17(14-33-21)15-37(2)26(40)39(24)18-3-6-22(19(11-18)27(28,29)30)38-9-7-32-8-10-38;1-36-15-17-14-32-21-5-4-20(16-12-33-25(40-2)34-13-16)35-23(21)24(17)38(26(36)39)18-3-6-22(19(11-18)27(28,29)30)37-9-7-31-8-10-37;1-36-14-17-13-32-21-4-3-20(16-11-33-23(15-39)34-12-16)35-24(21)25(17)38(26(36)40)18-2-5-22(19(10-18)27(28,29)30)37-8-6-31-7-9-37;1-16-32-12-17(13-33-16)21-4-5-22-24(35-21)25-18(14-34-22)15-36(2)26(39)38(25)19-3-6-23(20(11-19)27(28,29)30)37-9-7-31-8-10-37;1-36-14-16-13-32-20-4-3-19(15-11-33-24(30)34-12-15)35-22(20)23(16)38(25(36)39)17-2-5-21(18(10-17)26(27,28)29)37-8-6-31-7-9-37/h3-8,17-19,36H,9-16,20H2,1-2H3;3-6,11-14,32H,7-10,15H2,2H3;3-6,11-14,31H,7-10,15H2,1-2H3;2-5,10-13,31,39H,6-9,14-15H2,1H3;3-6,11-14,31H,7-10,15H2,1-2H3;2-5,10-13,31H,6-9,14H2,1H3,(H2,30,33,34)
InChIKeyMQKBMLFBHHRPKE-UHFFFAOYSA-N
XLogP25.61
TPSA595.71 Ų
H-Bond Donors8
H-Bond Acceptors46
Rotatable Bonds21
Heavy Atoms243
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003334.38
LogP ≤ 525.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The IUPAC name of 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 159641423) is 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-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-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The canonical SMILES for 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is CN1CCN(c2ccc(-c3ccc4ncc5c(c4n3)N(c3ccc(N4CCNCC4)c(C(F)(F)F)c3)C(=O)N(C)C5)cn2)CC1.CN1Cc2cnc3ccc(-c4cnc(CO)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4cnc(N)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.COc1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C(=O)N(C)C4)cn1.Cc1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C(=O)N(C)C4)cn1.[C-]#[N+]c1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C(=O)N(C)C4)cn1.
What is the InChIKey of 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The InChIKey is MQKBMLFBHHRPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N9O.C27H22F3N9O.2C27H25F3N8O2.C27H25F3N8O.C26H24F3N9O/c1-40-13-15-43(16-14-40)28-8-3-21(18-38-28)25-5-6-26-29(39-25)30-22(19-37-26)20-41(2)31(45)44(30)23-4-7-27(24(17-23)32(33,34)35)42-11-9-36-10-12-42;1-31-25-34-12-16(13-35-25)20-4-5-21-23(36-20)24-17(14-33-21)15-37(2)26(40)39(24)18-3-6-22(19(11-18)27(28,29)30)38-9-7-32-8-10-38;1-36-15-17-14-32-21-5-4-20(16-12-33-25(40-2)34-13-16)35-23(21)24(17)38(26(36)39)18-3-6-22(19(11-18)27(28,29)30)37-9-7-31-8-10-37;1-36-14-17-13-32-21-4-3-20(16-11-33-23(15-39)34-12-16)35-24(21)25(17)38(26(36)40)18-2-5-22(19(10-18)27(28,29)30)37-8-6-31-7-9-37;1-16-32-12-17(13-33-16)21-4-5-22-24(35-21)25-18(14-34-22)15-36(2)26(39)38(25)19-3-6-23(20(11-19)27(28,29)30)37-9-7-31-8-10-37;1-36-14-16-13-32-20-4-3-19(15-11-33-24(30)34-12-15)35-22(20)23(16)38(25(36)39)17-2-5-21(18(10-17)26(27,28)29)37-8-6-31-7-9-37/h3-8,17-19,36H,9-16,20H2,1-2H3;3-6,11-14,32H,7-10,15H2,2H3;3-6,11-14,31H,7-10,15H2,1-2H3;2-5,10-13,31,39H,6-9,14-15H2,1H3;3-6,11-14,31H,7-10,15H2,1-2H3;2-5,10-13,31H,6-9,14H2,1H3,(H2,30,33,34).
What are the key properties of 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 3334.38 g/mol, XLogP of 25.61, 21 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 159641423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).