4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine

C25H25FN6O2 — CID 144744876

IUPAC4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine
SMILESCCc1cc(F)c(-c2ncnc3cc(N4CCOCC4)cnc23)cc1Cc1ccc(OC)nn1
InChIInChI=1S/C25H25FN6O2/c1-3-16-12-21(26)20(11-17(16)10-18-4-5-23(33-2)31-30-18)24-25-22(28-15-29-24)13-19(14-27-25)32-6-8-34-9-7-32/h4-5,11-15H,3,6-10H2,1-2H3
InChIKeyPFWRAHDMYVSBLY-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.62
Rot. Bonds6

About 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine

4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine (PubChem CID 144744876) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine
PubChem CID144744876
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC Name4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine
SMILESCCc1cc(F)c(-c2ncnc3cc(N4CCOCC4)cnc23)cc1Cc1ccc(OC)nn1
InChIInChI=1S/C25H25FN6O2/c1-3-16-12-21(26)20(11-17(16)10-18-4-5-23(33-2)31-30-18)24-25-22(28-15-29-24)13-19(14-27-25)32-6-8-34-9-7-32/h4-5,11-15H,3,6-10H2,1-2H3
InChIKeyPFWRAHDMYVSBLY-UHFFFAOYSA-N
XLogP3.62
TPSA86.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine (CID 144744876) is 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine is CCc1cc(F)c(-c2ncnc3cc(N4CCOCC4)cnc23)cc1Cc1ccc(OC)nn1.
What is the InChIKey of 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine?
The InChIKey is PFWRAHDMYVSBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-3-16-12-21(26)20(11-17(16)10-18-4-5-23(33-2)31-30-18)24-25-22(28-15-29-24)13-19(14-27-25)32-6-8-34-9-7-32/h4-5,11-15H,3,6-10H2,1-2H3.
What are the key properties of 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine?
4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine has a molecular weight of 460.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 144744876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).