9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

C124H139N31O19S — CID 160827365

About 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 160827365) has the molecular formula C124H139N31O19S and a molecular weight of 2399.74 g/mol. Its IUPAC name is 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

• Compound Name: 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• PubChem CID: 160827365
• Molecular Formula: C124H139N31O19S
• Molecular Weight: 2399.74 g/mol
• Exact Mass: 2398.06
• IUPAC Name: 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• SMILES: C[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(CO)nc5)nc4c32)CC1.C[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(CO)nc5)nc4c32)CC1.C[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(N)nc5)nc4c32)CC1.C[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(S(C)(=O)=O)nc5)nc4c32)CC1.Cc1ccc(-c2ccc3ncc4c(c3n2)N(C2CCN(C(=O)[C@@H](C)O)CC2)C(=O)N(C)C4)cn1
• InChI: InChI=1S/C25H28N6O5S.2C25H28N6O4.C25H28N6O3.C24H27N7O3/c1-15(32)24(33)30-10-8-18(9-11-30)31-23-17(14-29(2)25(31)34)13-26-20-6-5-19(28-22(20)23)16-4-7-21(27-12-16)37(3,35)36;2*1-15(33)24(34)30-9-7-19(8-10-30)31-23-17(13-29(2)25(31)35)12-27-21-6-5-20(28-22(21)23)16-3-4-18(14-32)26-11-16;1-15-4-5-17(12-26-15)20-6-7-21-22(28-20)23-18(13-27-21)14-29(3)25(34)31(23)19-8-10-30(11-9-19)24(33)16(2)32;1-14(32)23(33)30-9-7-17(8-10-30)31-22-16(13-29(2)24(31)34)12-26-19-5-4-18(28-21(19)22)15-3-6-20(25)27-11-15/h4-7,12-13,15,18,32H,8-11,14H2,1-3H3;2*3-6,11-12,15,19,32-33H,7-10,13-14H2,1-2H3;4-7,12-13,16,19,32H,8-11,14H2,1-3H3;3-6,11-12,14,17,32H,7-10,13H2,1-2H3,(H2,25,27)/t3*15-;16-;14-/m11111/s1
• InChIKey: SGIYWXSEWCWJOR-OFAUIKMTSA-N
• XLogP: 10.46
• TPSA: 614.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 18
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2399.74
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The IUPAC name of 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 160827365) is 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

What is the SMILES notation for 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The canonical SMILES for 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is C[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(CO)nc5)nc4c32)CC1.C[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(CO)nc5)nc4c32)CC1.C[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(N)nc5)nc4c32)CC1.C[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(S(C)(=O)=O)nc5)nc4c32)CC1.Cc1ccc(-c2ccc3ncc4c(c3n2)N(C2CCN(C(=O)[C@@H](C)O)CC2)C(=O)N(C)C4)cn1.

What is the InChIKey of 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The InChIKey is SGIYWXSEWCWJOR-OFAUIKMTSA-N. The full InChI is InChI=1S/C25H28N6O5S.2C25H28N6O4.C25H28N6O3.C24H27N7O3/c1-15(32)24(33)30-10-8-18(9-11-30)31-23-17(14-29(2)25(31)34)13-26-20-6-5-19(28-22(20)23)16-4-7-21(27-12-16)37(3,35)36;2*1-15(33)24(34)30-9-7-19(8-10-30)31-23-17(13-29(2)25(31)35)12-27-21-6-5-20(28-22(21)23)16-3-4-18(14-32)26-11-16;1-15-4-5-17(12-26-15)20-6-7-21-22(28-20)23-18(13-27-21)14-29(3)25(34)31(23)19-8-10-30(11-9-19)24(33)16(2)32;1-14(32)23(33)30-9-7-17(8-10-30)31-22-16(13-29(2)24(31)34)12-26-19-5-4-18(28-21(19)22)15-3-6-20(25)27-11-15/h4-7,12-13,15,18,32H,8-11,14H2,1-3H3;2*3-6,11-12,15,19,32-33H,7-10,13-14H2,1-2H3;4-7,12-13,16,19,32H,8-11,14H2,1-3H3;3-6,11-12,14,17,32H,7-10,13H2,1-2H3,(H2,25,27)/t3*15-;16-;14-/m11111/s1.

What are the key properties of 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 2399.74 g/mol, XLogP of 10.46, 18 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 160827365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).