4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

C25H27FN4O3S — CID 42785918

IUPAC4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SMILESO=S(=O)(Cc1ccccc1)N1CCc2nc(Cc3cccc(F)c3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C25H27FN4O3S/c26-21-8-4-7-20(15-21)16-24-27-23-9-10-30(34(31,32)18-19-5-2-1-3-6-19)17-22(23)25(28-24)29-11-13-33-14-12-29/h1-8,15H,9-14,16-18H2
InChIKeyQSKJETAGJJSRET-UHFFFAOYSA-N
MW482.58 g/mol
LogP2.93
Rot. Bonds6

About 4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (PubChem CID 42785918) has the molecular formula C25H27FN4O3S and a molecular weight of 482.58 g/mol. Its IUPAC name is 4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
PubChem CID42785918
Molecular FormulaC25H27FN4O3S
Molecular Weight482.58 g/mol
Exact Mass482.18
IUPAC Name4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SMILESO=S(=O)(Cc1ccccc1)N1CCc2nc(Cc3cccc(F)c3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C25H27FN4O3S/c26-21-8-4-7-20(15-21)16-24-27-23-9-10-30(34(31,32)18-19-5-2-1-3-6-19)17-22(23)25(28-24)29-11-13-33-14-12-29/h1-8,15H,9-14,16-18H2
InChIKeyQSKJETAGJJSRET-UHFFFAOYSA-N
XLogP2.93
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(3-fluorophenyl)methyl]-6-naphthalen-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42785919
4-[2-[(3-fluorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42785920
1-[2-[(3-fluorophenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone
CID 42785781
4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 46126462
(3-bromophenyl)-[2-[(3-fluorophenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46126676
1-[2-[(3-fluorophenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methoxyphenyl)ethanone
CID 42785796
2-[(3-fluorophenyl)methyl]-N-(4-methylsulfanylphenyl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42785882
(3-fluorophenyl)-[2-[(3-methoxyphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42665635
1-[2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 7338939
4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42787909
N-[4-[[2-[(3-methoxyphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]phenyl]acetamide
CID 5067947
2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42785892

Frequently Asked Questions

What is the IUPAC name of 4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (CID 42785918) is 4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is O=S(=O)(Cc1ccccc1)N1CCc2nc(Cc3cccc(F)c3)nc(N3CCOCC3)c2C1.
What is the InChIKey of 4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is QSKJETAGJJSRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3S/c26-21-8-4-7-20(15-21)16-24-27-23-9-10-30(34(31,32)18-19-5-2-1-3-6-19)17-22(23)25(28-24)29-11-13-33-14-12-29/h1-8,15H,9-14,16-18H2.
What are the key properties of 4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 482.58 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 42785918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).