3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one

C25H26N6O2 — CID 156891932

IUPAC3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
SMILESCC(CN)n1cnc2c(-c3cccnc3)nc(-c3ccc(N4CCOCC4)cc3)cc2c1=O
InChIInChI=1S/C25H26N6O2/c1-17(14-26)31-16-28-24-21(25(31)32)13-22(29-23(24)19-3-2-8-27-15-19)18-4-6-20(7-5-18)30-9-11-33-12-10-30/h2-8,13,15-17H,9-12,14,26H2,1H3
InChIKeyOKGHMWHUOQZPOZ-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.88
Rot. Bonds5

About 3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one

3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 156891932) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
PubChem CID156891932
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
SMILESCC(CN)n1cnc2c(-c3cccnc3)nc(-c3ccc(N4CCOCC4)cc3)cc2c1=O
InChIInChI=1S/C25H26N6O2/c1-17(14-26)31-16-28-24-21(25(31)32)13-22(29-23(24)19-3-2-8-27-15-19)18-4-6-20(7-5-18)30-9-11-33-12-10-30/h2-8,13,15-17H,9-12,14,26H2,1H3
InChIKeyOKGHMWHUOQZPOZ-UHFFFAOYSA-N
XLogP2.88
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
CID 156891887
N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide
CID 156891918
2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one
CID 175827730
3-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one
CID 156891923
5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid
CID 170220230
3-[(2S)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenyl]-8-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-d]pyrimidin-4-one
CID 170219524
3-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-(5-methyl-2-pyridinyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
CID 170215027
6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol
CID 156743150
4-(4-ethyl-6-pyridin-3-ylpyrimidin-2-yl)morpholine
CID 39804563
3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one
CID 166803697
8-pyridin-3-yl-6-[6-(trichloromethyl)-3-pyridinyl]-3-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrido[3,4-d]pyrimidin-4-one
CID 166514518
4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane
CID 143936489

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one (CID 156891932) is 3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one is CC(CN)n1cnc2c(-c3cccnc3)nc(-c3ccc(N4CCOCC4)cc3)cc2c1=O.
What is the InChIKey of 3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is OKGHMWHUOQZPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-17(14-26)31-16-28-24-21(25(31)32)13-22(29-23(24)19-3-2-8-27-15-19)18-4-6-20(7-5-18)30-9-11-33-12-10-30/h2-8,13,15-17H,9-12,14,26H2,1H3.
What are the key properties of 3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one?
3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 442.52 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 156891932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).