5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol

C23H21FN6O4 — CID 137315182

IUPAC5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol
SMILESCOc1ccc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)cnc34)c(F)cc2O)nn1
InChIInChI=1S/C23H21FN6O4/c1-33-20-3-2-17(28-29-20)23(32)15-9-14(16(24)10-19(15)31)21-22-18(26-12-27-21)8-13(11-25-22)30-4-6-34-7-5-30/h2-3,8-12,23,31-32H,4-7H2,1H3
InChIKeyNDBYZRIUQMSQID-UHFFFAOYSA-N
MW464.46 g/mol
LogP2.25
Rot. Bonds5

About 5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol

5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol (PubChem CID 137315182) has the molecular formula C23H21FN6O4 and a molecular weight of 464.46 g/mol. Its IUPAC name is 5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol.

Molecular Properties

Compound Name5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol
PubChem CID137315182
Molecular FormulaC23H21FN6O4
Molecular Weight464.46 g/mol
Exact Mass464.16
IUPAC Name5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol
SMILESCOc1ccc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)cnc34)c(F)cc2O)nn1
InChIInChI=1S/C23H21FN6O4/c1-33-20-3-2-17(28-29-20)23(32)15-9-14(16(24)10-19(15)31)21-22-18(26-12-27-21)8-13(11-25-22)30-4-6-34-7-5-30/h2-3,8-12,23,31-32H,4-7H2,1H3
InChIKeyNDBYZRIUQMSQID-UHFFFAOYSA-N
XLogP2.25
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

[2-chloro-5-(5,6-dideuterio-7-morpholin-4-ylquinazolin-4-yl)-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol
CID 118954836
[4-fluoro-2-methoxy-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxy-4H-azepin-2-yl)methanol
CID 135268919
methyl 2-[6-[[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridazin-3-yl]oxyacetate
CID 118954756
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol
CID 144744962
ethane;[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol
CID 144744961
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
CID 164929903
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
CID 144744982
(S)-[5-(2-amino-7-morpholin-4-ylquinolin-4-yl)-2-chloro-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol
CID 164929889
ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine
CID 144744804
(S)-[2-chloro-4-fluoro-5-(8-fluoro-7-morpholin-4-ylcinnolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
CID 164929910
ethane;1-[4-fluoro-2-methyl-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-3-methyl-2-(prop-2-enylideneamino)but-2-en-1-ol
CID 144744990
(S)-[2-chloro-5-(8-chloro-7-morpholin-4-ylquinolin-4-yl)-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol
CID 164929961

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol?
The IUPAC name of 5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol (CID 137315182) is 5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol.
What is the SMILES notation for 5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol?
The canonical SMILES for 5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol is COc1ccc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)cnc34)c(F)cc2O)nn1.
What is the InChIKey of 5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol?
The InChIKey is NDBYZRIUQMSQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O4/c1-33-20-3-2-17(28-29-20)23(32)15-9-14(16(24)10-19(15)31)21-22-18(26-12-27-21)8-13(11-25-22)30-4-6-34-7-5-30/h2-3,8-12,23,31-32H,4-7H2,1H3.
What are the key properties of 5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol?
5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol has a molecular weight of 464.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol is sourced from PubChem (CID 137315182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).