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

C25H26N6O3 — CID 118242585

IUPAC9-[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
SMILESC=C1NC(=O)N(C2CCN(C(=C)CO)CC2)c2c1cnc1ccc(-c3ccc(CO)nc3)nc21
InChIInChI=1S/C25H26N6O3/c1-15(13-32)30-9-7-19(8-10-30)31-24-20(16(2)28-25(31)34)12-27-22-6-5-21(29-23(22)24)17-3-4-18(14-33)26-11-17/h3-6,11-12,19,32-33H,1-2,7-10,13-14H2,(H,28,34)
InChIKeyZOEIFTDNNRRADQ-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.65
Rot. Bonds5

About 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

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 (PubChem CID 118242585) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID118242585
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name9-[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
SMILESC=C1NC(=O)N(C2CCN(C(=C)CO)CC2)c2c1cnc1ccc(-c3ccc(CO)nc3)nc21
InChIInChI=1S/C25H26N6O3/c1-15(13-32)30-9-7-19(8-10-30)31-24-20(16(2)28-25(31)34)12-27-22-6-5-21(29-23(22)24)17-3-4-18(14-33)26-11-17/h3-6,11-12,19,32-33H,1-2,7-10,13-14H2,(H,28,34)
InChIKeyZOEIFTDNNRRADQ-UHFFFAOYSA-N
XLogP2.65
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 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

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-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077663
1-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129088451
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
4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide
CID 58379488
1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089229
2-(6-amino-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one
CID 71112255
9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 161369901
1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379589
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-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
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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1NC(=O)N(C2CCN(C(=C)CO)CC2)c2c1cnc1ccc(-c3ccc(CO)nc3)nc21.
What is the InChIKey of 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?
The InChIKey is ZOEIFTDNNRRADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-15(13-32)30-9-7-19(8-10-30)31-24-20(16(2)28-25(31)34)12-27-22-6-5-21(29-23(22)24)17-3-4-18(14-33)26-11-17/h3-6,11-12,19,32-33H,1-2,7-10,13-14H2,(H,28,34).
What are the key properties of 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?
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 has a molecular weight of 458.52 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118242585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).