1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

C25H27N7O4 — CID 55636682

IUPAC1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(=O)c4ccc5c(=O)n(C)c(=O)n(C)c5n4)CC3)n2)cc1
InChIInChI=1S/C25H27N7O4/c1-15-5-7-17(8-6-15)20-27-22(36-28-20)16(2)31-11-13-32(14-12-31)24(34)19-10-9-18-21(26-19)29(3)25(35)30(4)23(18)33/h5-10,16H,11-14H2,1-4H3
InChIKeyZUCFZZBJPXQXJE-UHFFFAOYSA-N
MW489.54 g/mol
LogP1.51
Rot. Bonds4

About 1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 55636682) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is 1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID55636682
Molecular FormulaC25H27N7O4
Molecular Weight489.54 g/mol
Exact Mass489.21
IUPAC Name1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(=O)c4ccc5c(=O)n(C)c(=O)n(C)c5n4)CC3)n2)cc1
InChIInChI=1S/C25H27N7O4/c1-15-5-7-17(8-6-15)20-27-22(36-28-20)16(2)31-11-13-32(14-12-31)24(34)19-10-9-18-21(26-19)29(3)25(35)30(4)23(18)33/h5-10,16H,11-14H2,1-4H3
InChIKeyZUCFZZBJPXQXJE-UHFFFAOYSA-N
XLogP1.51
TPSA119.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

1,3-dimethyl-6-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 43065030
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 43073729
1-methyl-4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]quinolin-2-one
CID 55829532
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]butan-1-one
CID 42952118
2-amino-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 119855482
[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 46403273
(3,5-dimethoxy-4-methylphenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43073653
(2-aminophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946676
[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 43063165
(2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43063170
[4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]urea
CID 43073692
methyl 3-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]benzoate
CID 55830701

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 55636682) is 1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccc(-c2noc(C(C)N3CCN(C(=O)c4ccc5c(=O)n(C)c(=O)n(C)c5n4)CC3)n2)cc1.
What is the InChIKey of 1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZUCFZZBJPXQXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4/c1-15-5-7-17(8-6-15)20-27-22(36-28-20)16(2)31-11-13-32(14-12-31)24(34)19-10-9-18-21(26-19)29(3)25(35)30(4)23(18)33/h5-10,16H,11-14H2,1-4H3.
What are the key properties of 1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 489.54 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 55636682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).