4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine

C27H31N7O3 — CID 141446332

IUPAC4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine
SMILESC1=NCN(c2ccc(N3CCOCC3)nc2)c2c1ccnc2-c1ccc(OCCN2CCOCC2)cn1
InChIInChI=1S/C27H31N7O3/c1-4-25(33-10-14-36-15-11-33)31-18-22(1)34-20-28-17-21-5-6-29-26(27(21)34)24-3-2-23(19-30-24)37-16-9-32-7-12-35-13-8-32/h1-6,17-19H,7-16,20H2
InChIKeyFODLJGBJWACYJF-UHFFFAOYSA-N
MW501.59 g/mol
LogP2.61
Rot. Bonds7

About 4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine

4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine (PubChem CID 141446332) has the molecular formula C27H31N7O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is 4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine
PubChem CID141446332
Molecular FormulaC27H31N7O3
Molecular Weight501.59 g/mol
Exact Mass501.25
IUPAC Name4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine
SMILESC1=NCN(c2ccc(N3CCOCC3)nc2)c2c1ccnc2-c1ccc(OCCN2CCOCC2)cn1
InChIInChI=1S/C27H31N7O3/c1-4-25(33-10-14-36-15-11-33)31-18-22(1)34-20-28-17-21-5-6-29-26(27(21)34)24-3-2-23(19-30-24)37-16-9-32-7-12-35-13-8-32/h1-6,17-19H,7-16,20H2
InChIKeyFODLJGBJWACYJF-UHFFFAOYSA-N
XLogP2.61
TPSA88.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine with MolForge

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Related Compounds

8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163106
4-[2-(4-piperazin-1-ylphenoxy)ethyl]morpholine
CID 43510321
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
1-fluoro-2-[4-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 87332393
4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine
CID 58930607
3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365359
1-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79796010
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595656
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400
4-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethyl]morpholine
CID 82248212

Frequently Asked Questions

What is the IUPAC name of 4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine (CID 141446332) is 4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine is C1=NCN(c2ccc(N3CCOCC3)nc2)c2c1ccnc2-c1ccc(OCCN2CCOCC2)cn1.
What is the InChIKey of 4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine?
The InChIKey is FODLJGBJWACYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O3/c1-4-25(33-10-14-36-15-11-33)31-18-22(1)34-20-28-17-21-5-6-29-26(27(21)34)24-3-2-23(19-30-24)37-16-9-32-7-12-35-13-8-32/h1-6,17-19H,7-16,20H2.
What are the key properties of 4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine?
4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine has a molecular weight of 501.59 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[8-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 141446332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).