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

C25H28N6O5S — CID 78117155

IUPAC1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESCC(O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(S(C)(=O)=O)nc5)nc4c32)CC1
InChIInChI=1S/C25H28N6O5S/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/h4-7,12-13,15,18,32H,8-11,14H2,1-3H3
InChIKeyAUPXHHLDSDDPFY-UHFFFAOYSA-N
MW524.60 g/mol
LogP1.84
Rot. Bonds4

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

1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 78117155) has the molecular formula C25H28N6O5S and a molecular weight of 524.60 g/mol. Its IUPAC name is 1-[1-(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 Name1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
PubChem CID78117155
Molecular FormulaC25H28N6O5S
Molecular Weight524.60 g/mol
Exact Mass524.18
IUPAC Name1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESCC(O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(S(C)(=O)=O)nc5)nc4c32)CC1
InChIInChI=1S/C25H28N6O5S/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/h4-7,12-13,15,18,32H,8-11,14H2,1-3H3
InChIKeyAUPXHHLDSDDPFY-UHFFFAOYSA-N
XLogP1.84
TPSA136.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.60
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

PF-04979064
CID 46866705
3-methyl-9-(6-methylsulfonylpyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 89589910
3-methyl-1-[4-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 71572349
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
CID 60143172
1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 60143175
13-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-11-methyl-4-(6-methyl-3-pyridinyl)-5-thia-7,11,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
CID 60169398
2-(6-Methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one
CID 71112984
10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfonyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one
CID 71479377
10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one
CID 71479398
1-[1-(2-Hydroxypropanoyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 71541196
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
CID 71573162
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 71573163

Frequently Asked Questions

What is the IUPAC name of 1-[1-(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 1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 78117155) is 1-[1-(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 1-[1-(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 1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is CC(O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(S(C)(=O)=O)nc5)nc4c32)CC1.
What is the InChIKey of 1-[1-(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 AUPXHHLDSDDPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O5S/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/h4-7,12-13,15,18,32H,8-11,14H2,1-3H3.
What are the key properties of 1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
1-[1-(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 524.60 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(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 78117155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).