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

C17H22N4O3S2 — CID 86264718

IUPAC4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine
SMILESCCc1ccc(S(=O)(=O)N2CCc3cnc(N4CCOCC4)nc3C2)s1
InChIInChI=1S/C17H22N4O3S2/c1-2-14-3-4-16(25-14)26(22,23)21-6-5-13-11-18-17(19-15(13)12-21)20-7-9-24-10-8-20/h3-4,11H,2,5-10,12H2,1H3
InChIKeySCDLJEXPSGPPGU-UHFFFAOYSA-N
MW394.52 g/mol
LogP1.68
Rot. Bonds4

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

4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine (PubChem CID 86264718) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine
PubChem CID86264718
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC Name4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine
SMILESCCc1ccc(S(=O)(=O)N2CCc3cnc(N4CCOCC4)nc3C2)s1
InChIInChI=1S/C17H22N4O3S2/c1-2-14-3-4-16(25-14)26(22,23)21-6-5-13-11-18-17(19-15(13)12-21)20-7-9-24-10-8-20/h3-4,11H,2,5-10,12H2,1H3
InChIKeySCDLJEXPSGPPGU-UHFFFAOYSA-N
XLogP1.68
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 122333647
6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 71805844
4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine
CID 86264634
5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
CID 122353531
4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine
CID 91624734
N-[5-(5-ethylthiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525407
1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-naphthalen-1-ylethanone
CID 86264700
5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
CID 122255149
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489
N-methyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine
CID 145047462
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333152

Frequently Asked Questions

What is the IUPAC name of 4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine (CID 86264718) is 4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine is CCc1ccc(S(=O)(=O)N2CCc3cnc(N4CCOCC4)nc3C2)s1.
What is the InChIKey of 4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine?
The InChIKey is SCDLJEXPSGPPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-2-14-3-4-16(25-14)26(22,23)21-6-5-13-11-18-17(19-15(13)12-21)20-7-9-24-10-8-20/h3-4,11H,2,5-10,12H2,1H3.
What are the key properties of 4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine?
4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine has a molecular weight of 394.52 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 86264718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).