2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H25N3O4S — CID 134788928

IUPAC2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(-c2nc(C3CC3)nc3c2CN(S(=O)(=O)c2cccc(OC)c2)CC3)cc1
InChIInChI=1S/C24H25N3O4S/c1-30-18-10-8-16(9-11-18)23-21-15-27(13-12-22(21)25-24(26-23)17-6-7-17)32(28,29)20-5-3-4-19(14-20)31-2/h3-5,8-11,14,17H,6-7,12-13,15H2,1-2H3
InChIKeyHQFFOAGHYKGCSI-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.79
Rot. Bonds6

About 2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 134788928) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID134788928
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(-c2nc(C3CC3)nc3c2CN(S(=O)(=O)c2cccc(OC)c2)CC3)cc1
InChIInChI=1S/C24H25N3O4S/c1-30-18-10-8-16(9-11-18)23-21-15-27(13-12-22(21)25-24(26-23)17-6-7-17)32(28,29)20-5-3-4-19(14-20)31-2/h3-5,8-11,14,17H,6-7,12-13,15H2,1-2H3
InChIKeyHQFFOAGHYKGCSI-UHFFFAOYSA-N
XLogP3.79
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 4647615
[2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 134788830
6-(3-methoxyphenyl)sulfonyl-4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 5260855
7-(3-methoxyphenyl)sulfonyl-2-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24732775
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
2-cyclopropyl-4-(4-methoxyphenyl)-7-[(1-methylpyrrol-2-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 134788875
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-(3-methoxyphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 135601442
3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 119102477
3-[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 129417378
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine
CID 91909491

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 134788928) is 2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(-c2nc(C3CC3)nc3c2CN(S(=O)(=O)c2cccc(OC)c2)CC3)cc1.
What is the InChIKey of 2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is HQFFOAGHYKGCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-30-18-10-8-16(9-11-18)23-21-15-27(13-12-22(21)25-24(26-23)17-6-7-17)32(28,29)20-5-3-4-19(14-20)31-2/h3-5,8-11,14,17H,6-7,12-13,15H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 451.55 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-methoxyphenyl)-6-(3-methoxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 134788928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).