1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

C26H32N8O4 — CID 123973334

IUPAC1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESCN1Cc2cnc3ccc(-c4cnc(N5CCOCC5)nc4)nc3c2N(C2CCN(C(O)CO)CC2)C1=O
InChIInChI=1S/C26H32N8O4/c1-31-15-18-14-27-21-3-2-20(17-12-28-25(29-13-17)33-8-10-38-11-9-33)30-23(21)24(18)34(26(31)37)19-4-6-32(7-5-19)22(36)16-35/h2-3,12-14,19,22,35-36H,4-11,15-16H2,1H3
InChIKeyXTXFJLHVPLNJKE-UHFFFAOYSA-N
MW520.59 g/mol
LogP1.07
Rot. Bonds5

About 1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 123973334) has the molecular formula C26H32N8O4 and a molecular weight of 520.59 g/mol. Its IUPAC name is 1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
PubChem CID123973334
Molecular FormulaC26H32N8O4
Molecular Weight520.59 g/mol
Exact Mass520.25
IUPAC Name1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESCN1Cc2cnc3ccc(-c4cnc(N5CCOCC5)nc4)nc3c2N(C2CCN(C(O)CO)CC2)C1=O
InChIInChI=1S/C26H32N8O4/c1-31-15-18-14-27-21-3-2-20(17-12-28-25(29-13-17)33-8-10-38-11-9-33)30-23(21)24(18)34(26(31)37)19-4-6-32(7-5-19)22(36)16-35/h2-3,12-14,19,22,35-36H,4-11,15-16H2,1H3
InChIKeyXTXFJLHVPLNJKE-UHFFFAOYSA-N
XLogP1.07
TPSA131.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-(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
1-[1-(2-methylpropanethioyl)piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129088585
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
1-[1-(2-hydroxyacetyl)piperidin-4-yl]-9-(2-methylsulfanylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxyacetyl)piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxyacetyl)piperidin-4-yl]-9-[2-(2-oxopropyl)pyrimidin-5-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxyacetyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 157142745
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
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
4-[5-(3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]morpholine
CID 122621739
8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379642
5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile
CID 121306629

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 123973334) is 1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is CN1Cc2cnc3ccc(-c4cnc(N5CCOCC5)nc4)nc3c2N(C2CCN(C(O)CO)CC2)C1=O.
What is the InChIKey of 1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The InChIKey is XTXFJLHVPLNJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O4/c1-31-15-18-14-27-21-3-2-20(17-12-28-25(29-13-17)33-8-10-38-11-9-33)30-23(21)24(18)34(26(31)37)19-4-6-32(7-5-19)22(36)16-35/h2-3,12-14,19,22,35-36H,4-11,15-16H2,1H3.
What are the key properties of 1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 520.59 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-dihydroxyethyl)piperidin-4-yl]-3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 123973334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).