2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile

C167H153N45O8 — CID 158819052

IUPAC2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
SMILESCN1CCN(c2ccc(-c3ccc4ncc5c(c4n3)N(c3ccc(C(C)(C)C#N)cc3)C(=O)N(C)C5)cn2)CC1.CN1Cc2cnc3ccc(-c4ccc(-n5cccn5)nc4)nc3c2N(c2ccc(C(C)(C)C#N)cc2)C1=O.CN1Cc2cnc3ccc(-c4ccc(N5CCOCC5)nc4)nc3c2N(c2ccc(C(C)(C)C#N)cc2)C1=O.CN1Cc2cnc3ccc(-c4cnc(N)nc4)nc3c2N(c2ccc(C(C)(C)C#N)cc2)C1=O.COc1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(C(C)(C)C#N)cc2)C(=O)N(C)C4)cn1.Cc1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(C(C)(C)C#N)cc2)C(=O)N(C)C4)cn1
InChIInChI=1S/C31H32N8O.C30H29N7O2.C29H24N8O.C26H23N7O2.C26H23N7O.C25H22N8O/c1-31(2,20-32)23-6-8-24(9-7-23)39-29-22(19-37(4)30(39)40)18-33-26-11-10-25(35-28(26)29)21-5-12-27(34-17-21)38-15-13-36(3)14-16-38;1-30(2,19-31)22-5-7-23(8-6-22)37-28-21(18-35(3)29(37)38)17-32-25-10-9-24(34-27(25)28)20-4-11-26(33-16-20)36-12-14-39-15-13-36;1-29(2,18-30)21-6-8-22(9-7-21)37-27-20(17-35(3)28(37)38)16-31-24-11-10-23(34-26(24)27)19-5-12-25(32-15-19)36-14-4-13-33-36;1-26(2,15-27)18-5-7-19(8-6-18)33-23-17(14-32(3)25(33)34)13-28-21-10-9-20(31-22(21)23)16-11-29-24(35-4)30-12-16;1-16-28-11-17(12-29-16)21-9-10-22-23(31-21)24-18(13-30-22)14-32(4)25(34)33(24)20-7-5-19(6-8-20)26(2,3)15-27;1-25(2,14-26)17-4-6-18(7-5-17)33-22-16(13-32(3)24(33)34)12-28-20-9-8-19(31-21(20)22)15-10-29-23(27)30-11-15/h5-12,17-18H,13-16,19H2,1-4H3;4-11,16-17H,12-15,18H2,1-3H3;4-16H,17H2,1-3H3;5-13H,14H2,1-4H3;5-13H,14H2,1-4H3;4-12H,13H2,1-3H3,(H2,27,29,30)
InChIKeyIVQBKOOWDSLOQE-UHFFFAOYSA-N
MW2918.37 g/mol
LogP29.04
Rot. Bonds22

About 2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile

2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile (PubChem CID 158819052) has the molecular formula C167H153N45O8 and a molecular weight of 2918.37 g/mol. Its IUPAC name is 2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile.

Molecular Properties

Compound Name2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
PubChem CID158819052
Molecular FormulaC167H153N45O8
Molecular Weight2918.37 g/mol
Exact Mass2916.29
IUPAC Name2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
SMILESCN1CCN(c2ccc(-c3ccc4ncc5c(c4n3)N(c3ccc(C(C)(C)C#N)cc3)C(=O)N(C)C5)cn2)CC1.CN1Cc2cnc3ccc(-c4ccc(-n5cccn5)nc4)nc3c2N(c2ccc(C(C)(C)C#N)cc2)C1=O.CN1Cc2cnc3ccc(-c4ccc(N5CCOCC5)nc4)nc3c2N(c2ccc(C(C)(C)C#N)cc2)C1=O.CN1Cc2cnc3ccc(-c4cnc(N)nc4)nc3c2N(c2ccc(C(C)(C)C#N)cc2)C1=O.COc1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(C(C)(C)C#N)cc2)C(=O)N(C)C4)cn1.Cc1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(C(C)(C)C#N)cc2)C(=O)N(C)C4)cn1
InChIInChI=1S/C31H32N8O.C30H29N7O2.C29H24N8O.C26H23N7O2.C26H23N7O.C25H22N8O/c1-31(2,20-32)23-6-8-24(9-7-23)39-29-22(19-37(4)30(39)40)18-33-26-11-10-25(35-28(26)29)21-5-12-27(34-17-21)38-15-13-36(3)14-16-38;1-30(2,19-31)22-5-7-23(8-6-22)37-28-21(18-35(3)29(37)38)17-32-25-10-9-24(34-27(25)28)20-4-11-26(33-16-20)36-12-14-39-15-13-36;1-29(2,18-30)21-6-8-22(9-7-21)37-27-20(17-35(3)28(37)38)16-31-24-11-10-23(34-26(24)27)19-5-12-25(32-15-19)36-14-4-13-33-36;1-26(2,15-27)18-5-7-19(8-6-18)33-23-17(14-32(3)25(33)34)13-28-21-10-9-20(31-22(21)23)16-11-29-24(35-4)30-12-16;1-16-28-11-17(12-29-16)21-9-10-22-23(31-21)24-18(13-30-22)14-32(4)25(34)33(24)20-7-5-19(6-8-20)26(2,3)15-27;1-25(2,14-26)17-4-6-18(7-5-17)33-22-16(13-32(3)24(33)34)12-28-20-9-8-19(31-21(20)22)15-10-29-23(27)30-11-15/h5-12,17-18H,13-16,19H2,1-4H3;4-11,16-17H,12-15,18H2,1-3H3;4-16H,17H2,1-3H3;5-13H,14H2,1-4H3;5-13H,14H2,1-4H3;4-12H,13H2,1-3H3,(H2,27,29,30)
InChIKeyIVQBKOOWDSLOQE-UHFFFAOYSA-N
XLogP29.04
TPSA626.75 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds22
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002918.37
LogP ≤ 529.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Analyze 2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile with MolForge

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Related Compounds

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N-methyl-N-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]quinolin-2-amine
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N-[2-fluoro-4-[[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
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N-[4-[[2-fluoro-4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
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N-[3-fluoro-4-[[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
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1-[2-Fluoro-4-(2-oxopropyl)phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea
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1-[3-Fluoro-4-(2-oxopropyl)phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea
CID 146891934
1-[3-Fluoro-4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 153250938
1-[2-Fluoro-4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 160743776

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
The IUPAC name of 2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile (CID 158819052) is 2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile.
What is the SMILES notation for 2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
The canonical SMILES for 2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile is CN1CCN(c2ccc(-c3ccc4ncc5c(c4n3)N(c3ccc(C(C)(C)C#N)cc3)C(=O)N(C)C5)cn2)CC1.CN1Cc2cnc3ccc(-c4ccc(-n5cccn5)nc4)nc3c2N(c2ccc(C(C)(C)C#N)cc2)C1=O.CN1Cc2cnc3ccc(-c4ccc(N5CCOCC5)nc4)nc3c2N(c2ccc(C(C)(C)C#N)cc2)C1=O.CN1Cc2cnc3ccc(-c4cnc(N)nc4)nc3c2N(c2ccc(C(C)(C)C#N)cc2)C1=O.COc1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(C(C)(C)C#N)cc2)C(=O)N(C)C4)cn1.Cc1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(C(C)(C)C#N)cc2)C(=O)N(C)C4)cn1.
What is the InChIKey of 2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
The InChIKey is IVQBKOOWDSLOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N8O.C30H29N7O2.C29H24N8O.C26H23N7O2.C26H23N7O.C25H22N8O/c1-31(2,20-32)23-6-8-24(9-7-23)39-29-22(19-37(4)30(39)40)18-33-26-11-10-25(35-28(26)29)21-5-12-27(34-17-21)38-15-13-36(3)14-16-38;1-30(2,19-31)22-5-7-23(8-6-22)37-28-21(18-35(3)29(37)38)17-32-25-10-9-24(34-27(25)28)20-4-11-26(33-16-20)36-12-14-39-15-13-36;1-29(2,18-30)21-6-8-22(9-7-21)37-27-20(17-35(3)28(37)38)16-31-24-11-10-23(34-26(24)27)19-5-12-25(32-15-19)36-14-4-13-33-36;1-26(2,15-27)18-5-7-19(8-6-18)33-23-17(14-32(3)25(33)34)13-28-21-10-9-20(31-22(21)23)16-11-29-24(35-4)30-12-16;1-16-28-11-17(12-29-16)21-9-10-22-23(31-21)24-18(13-30-22)14-32(4)25(34)33(24)20-7-5-19(6-8-20)26(2,3)15-27;1-25(2,14-26)17-4-6-18(7-5-17)33-22-16(13-32(3)24(33)34)12-28-20-9-8-19(31-21(20)22)15-10-29-23(27)30-11-15/h5-12,17-18H,13-16,19H2,1-4H3;4-11,16-17H,12-15,18H2,1-3H3;4-16H,17H2,1-3H3;5-13H,14H2,1-4H3;5-13H,14H2,1-4H3;4-12H,13H2,1-3H3,(H2,27,29,30).
What are the key properties of 2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile has a molecular weight of 2918.37 g/mol, XLogP of 29.04, 22 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-(2-aminopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(2-methylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile is sourced from PubChem (CID 158819052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).