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

C23H23FN4O3S — CID 42787909

IUPAC4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCc2nc(-c3ccccc3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C23H23FN4O3S/c24-18-6-8-19(9-7-18)32(29,30)28-11-10-21-20(16-28)23(27-12-14-31-15-13-27)26-22(25-21)17-4-2-1-3-5-17/h1-9H,10-16H2
InChIKeyHNMQLJCAMMXDJP-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.87
Rot. Bonds4

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

4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (PubChem CID 42787909) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
PubChem CID42787909
Molecular FormulaC23H23FN4O3S
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC Name4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCc2nc(-c3ccccc3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C23H23FN4O3S/c24-18-6-8-19(9-7-18)32(29,30)28-11-10-21-20(16-28)23(27-12-14-31-15-13-27)26-22(25-21)17-4-2-1-3-5-17/h1-9H,10-16H2
InChIKeyHNMQLJCAMMXDJP-UHFFFAOYSA-N
XLogP2.87
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

6-(4-fluorophenyl)sulfonyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 42787030
6-(4-methoxyphenyl)sulfonyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 42666122
4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 46126462
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-methyl-6-(4-nitrophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42786779
6-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 4647615
morpholin-4-yl-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 3607547
N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide
CID 42786778
[3,5-bis(trifluoromethyl)phenyl]-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42787769
4-[2-[(3-fluorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42785920
4-[6-benzylsulfonyl-2-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42785918
(4-fluorophenyl)-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7360577

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (CID 42787909) is 4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is O=S(=O)(c1ccc(F)cc1)N1CCc2nc(-c3ccccc3)nc(N3CCOCC3)c2C1.
What is the InChIKey of 4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is HNMQLJCAMMXDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c24-18-6-8-19(9-7-18)32(29,30)28-11-10-21-20(16-28)23(27-12-14-31-15-13-27)26-22(25-21)17-4-2-1-3-5-17/h1-9H,10-16H2.
What are the key properties of 4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 454.53 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 42787909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).