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

C24H25N7O4 — CID 43065030

IUPAC1,3-dimethyl-6-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1
InChIInChI=1S/C24H25N7O4/c1-15(21-26-19(27-35-21)16-7-5-4-6-8-16)30-9-11-31(12-10-30)22(32)17-13-18-20(25-14-17)28(2)24(34)29(3)23(18)33/h4-8,13-15H,9-12H2,1-3H3
InChIKeyDQBIDULLSYFFMQ-UHFFFAOYSA-N
MW475.51 g/mol
LogP1.20
Rot. Bonds4

About 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

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 (PubChem CID 43065030) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3-dimethyl-6-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID43065030
Molecular FormulaC24H25N7O4
Molecular Weight475.51 g/mol
Exact Mass475.20
IUPAC Name1,3-dimethyl-6-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1
InChIInChI=1S/C24H25N7O4/c1-15(21-26-19(27-35-21)16-7-5-4-6-8-16)30-9-11-31(12-10-30)22(32)17-13-18-20(25-14-17)28(2)24(34)29(3)23(18)33/h4-8,13-15H,9-12H2,1-3H3
InChIKeyDQBIDULLSYFFMQ-UHFFFAOYSA-N
XLogP1.20
TPSA119.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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
(5-bromo-3-pyridinyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 43065034
(3-hydroxynaphthalen-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46403274
[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47012450
3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one
CID 55683104
4-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 55682874
[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 46403273
1-methyl-4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]quinolin-2-one
CID 55829532
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46403384
(3-methylthiophen-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 43065073
(2,3-dichlorophenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46482802
3-amino-2-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 120503166

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1.
What is the InChIKey of 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?
The InChIKey is DQBIDULLSYFFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-15(21-26-19(27-35-21)16-7-5-4-6-8-16)30-9-11-31(12-10-30)22(32)17-13-18-20(25-14-17)28(2)24(34)29(3)23(18)33/h4-8,13-15H,9-12H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 475.51 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 43065030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).