4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

C24H23N5O2 — CID 157295102

IUPAC4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESNc1nc(OCCc2ccccn2)nc2c1CCN(c1cc(O)cc3ccccc13)C2
InChIInChI=1S/C24H23N5O2/c25-23-20-8-11-29(22-14-18(30)13-16-5-1-2-7-19(16)22)15-21(20)27-24(28-23)31-12-9-17-6-3-4-10-26-17/h1-7,10,13-14,30H,8-9,11-12,15H2,(H2,25,27,28)
InChIKeyQJFQCSQXULWYIT-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.50
Rot. Bonds5

About 4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 157295102) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
PubChem CID157295102
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESNc1nc(OCCc2ccccn2)nc2c1CCN(c1cc(O)cc3ccccc13)C2
InChIInChI=1S/C24H23N5O2/c25-23-20-8-11-29(22-14-18(30)13-16-5-1-2-7-19(16)22)15-21(20)27-24(28-23)31-12-9-17-6-3-4-10-26-17/h1-7,10,13-14,30H,8-9,11-12,15H2,(H2,25,27,28)
InChIKeyQJFQCSQXULWYIT-UHFFFAOYSA-N
XLogP3.50
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-amino-2-[2-(diethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 160514019
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-[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-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 159537973
4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide
CID 159562333
4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 159225386
7-[3-(difluoromethyl)naphthalen-1-yl]-2-(3-morpholin-4-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 162205714
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
1-[3-(hydroxymethyl)-4-[7-(3-hydroxynaphthalen-1-yl)-2-propoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 134335747
4-[4-amino-2-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N,N-diethylprop-2-enamide
CID 159679011
2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 154627805
(6R)-3-[7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-6-ol
CID 170376523

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?
The IUPAC name of 4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (CID 157295102) is 4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?
The canonical SMILES for 4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is Nc1nc(OCCc2ccccn2)nc2c1CCN(c1cc(O)cc3ccccc13)C2.
What is the InChIKey of 4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?
The InChIKey is QJFQCSQXULWYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c25-23-20-8-11-29(22-14-18(30)13-16-5-1-2-7-19(16)22)15-21(20)27-24(28-23)31-12-9-17-6-3-4-10-26-17/h1-7,10,13-14,30H,8-9,11-12,15H2,(H2,25,27,28).
What are the key properties of 4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?
4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 413.48 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 157295102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).