7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C25H29F2N5O2 — CID 162205714

IUPAC7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESNc1nc(OCCCN2CCOCC2)nc2c1CCN(c1cc(C(F)F)cc3ccccc13)C2
InChIInChI=1S/C25H29F2N5O2/c26-23(27)18-14-17-4-1-2-5-19(17)22(15-18)32-8-6-20-21(16-32)29-25(30-24(20)28)34-11-3-7-31-9-12-33-13-10-31/h1-2,4-5,14-15,23H,3,6-13,16H2,(H2,28,29,30)
InChIKeyWTODWYGHYHUTSX-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.81
Rot. Bonds7

About 7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 162205714) has the molecular formula C25H29F2N5O2 and a molecular weight of 469.54 g/mol. Its IUPAC name is 7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID162205714
Molecular FormulaC25H29F2N5O2
Molecular Weight469.54 g/mol
Exact Mass469.23
IUPAC Name7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESNc1nc(OCCCN2CCOCC2)nc2c1CCN(c1cc(C(F)F)cc3ccccc13)C2
InChIInChI=1S/C25H29F2N5O2/c26-23(27)18-14-17-4-1-2-5-19(17)22(15-18)32-8-6-20-21(16-32)29-25(30-24(20)28)34-11-3-7-31-9-12-33-13-10-31/h1-2,4-5,14-15,23H,3,6-13,16H2,(H2,28,29,30)
InChIKeyWTODWYGHYHUTSX-UHFFFAOYSA-N
XLogP3.81
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 159079640
4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 157295102
4-[4-amino-2-[2-(diethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 160514019
tert-butyl 4-[7-[3-(methoxymethoxy)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 175579729
4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 158489738
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-7-[3-(difluoromethyl)naphthalen-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 163222991
2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 154627805
4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 159537973
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-7-[3-(difluoromethyl)naphthalen-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
CID 163223013
4-[4-amino-2-[3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N,N-diethylprop-2-enamide
CID 157446362
benzyl 4-[2-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]propoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 134335881
4-[4-amino-2-[(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 157426302

Frequently Asked Questions

What is the IUPAC name of 7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 162205714) is 7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is Nc1nc(OCCCN2CCOCC2)nc2c1CCN(c1cc(C(F)F)cc3ccccc13)C2.
What is the InChIKey of 7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is WTODWYGHYHUTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N5O2/c26-23(27)18-14-17-4-1-2-5-19(17)22(15-18)32-8-6-20-21(16-32)29-25(30-24(20)28)34-11-3-7-31-9-12-33-13-10-31/h1-2,4-5,14-15,23H,3,6-13,16H2,(H2,28,29,30).
What are the key properties of 7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 469.54 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162205714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).