9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one

C23H24N8O3 — CID 90077782

IUPAC9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESC=C1NC(=O)N(C2CCN(C(=O)[C@H](C)O)CC2)c2c1cnc1ccc(-c3cnc(N)nc3)nc21
InChIInChI=1S/C23H24N8O3/c1-12-16-11-25-18-4-3-17(14-9-26-22(24)27-10-14)29-19(18)20(16)31(23(34)28-12)15-5-7-30(8-6-15)21(33)13(2)32/h3-4,9-11,13,15,32H,1,5-8H2,2H3,(H,28,34)(H2,24,26,27)/t13-/m0/s1
InChIKeyVADNNMDOGXODLS-ZDUSSCGKSA-N
MW460.50 g/mol
LogP1.54
Rot. Bonds3

About 9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one

9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 90077782) has the molecular formula C23H24N8O3 and a molecular weight of 460.50 g/mol. Its IUPAC name is 9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one
PubChem CID90077782
Molecular FormulaC23H24N8O3
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESC=C1NC(=O)N(C2CCN(C(=O)[C@H](C)O)CC2)c2c1cnc1ccc(-c3cnc(N)nc3)nc21
InChIInChI=1S/C23H24N8O3/c1-12-16-11-25-18-4-3-17(14-9-26-22(24)27-10-14)29-19(18)20(16)31(23(34)28-12)15-5-7-30(8-6-15)21(33)13(2)32/h3-4,9-11,13,15,32H,1,5-8H2,2H3,(H,28,34)(H2,24,26,27)/t13-/m0/s1
InChIKeyVADNNMDOGXODLS-ZDUSSCGKSA-N
XLogP1.54
TPSA150.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one with MolForge

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Related Compounds

9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-(3-hydroxyprop-1-en-2-yl)piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one
CID 118242585
9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 78117154
1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-isocyanopyrimidin-5-yl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 123376274
1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 123949458
1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-9-(2-methanimidoylpyrimidin-5-yl)-3,4-dihydropyrimido[5,4-c][1,5]naphthyridin-2-one
CID 121306652
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329048
9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077663
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329924
9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089218
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379501
2-(6-amino-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one
CID 71112255
1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 118151832

Frequently Asked Questions

What is the IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one?
The IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one (CID 90077782) is 9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one?
The canonical SMILES for 9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one is C=C1NC(=O)N(C2CCN(C(=O)[C@H](C)O)CC2)c2c1cnc1ccc(-c3cnc(N)nc3)nc21.
What is the InChIKey of 9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one?
The InChIKey is VADNNMDOGXODLS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H24N8O3/c1-12-16-11-25-18-4-3-17(14-9-26-22(24)27-10-14)29-19(18)20(16)31(23(34)28-12)15-5-7-30(8-6-15)21(33)13(2)32/h3-4,9-11,13,15,32H,1,5-8H2,2H3,(H,28,34)(H2,24,26,27)/t13-/m0/s1.
What are the key properties of 9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one?
9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 460.50 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminopyrimidin-5-yl)-1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-4-methylidenepyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 90077782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).