5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C21H25N5O3 — CID 66959706

IUPAC5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCCCO)c2c1=O
InChIInChI=1S/C21H25N5O3/c1-25-14-23-18-13-17(24-20(19(18)21(25)28)22-7-2-10-27)15-3-5-16(6-4-15)26-8-11-29-12-9-26/h3-6,13-14,27H,2,7-12H2,1H3,(H,22,24)
InChIKeyMAQHYUHQFVXIPC-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.63
Rot. Bonds6

About 5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959706) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959706
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCCCO)c2c1=O
InChIInChI=1S/C21H25N5O3/c1-25-14-23-18-13-17(24-20(19(18)21(25)28)22-7-2-10-27)15-3-5-16(6-4-15)26-8-11-29-12-9-26/h3-6,13-14,27H,2,7-12H2,1H3,(H,22,24)
InChIKeyMAQHYUHQFVXIPC-UHFFFAOYSA-N
XLogP1.63
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86295666
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094043
N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 72697151
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
2-cyclopropyl-N-[[(1S,2R)-2-hydroxy-cyclohexyl]-methyl]-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide
CID 70816915
6-((R)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118038598
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(2,6-dimethyl-morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118043167
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118043313
6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one
CID 135983984
N-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide
CID 164615229

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959706) is 5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCCCO)c2c1=O.
What is the InChIKey of 5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MAQHYUHQFVXIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-25-14-23-18-13-17(24-20(19(18)21(25)28)22-7-2-10-27)15-3-5-16(6-4-15)26-8-11-29-12-9-26/h3-6,13-14,27H,2,7-12H2,1H3,(H,22,24).
What are the key properties of 5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 395.46 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).