5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

C20H26N6O3 — CID 120861296

IUPAC5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(-c3nc(C4(N)CCC4)no3)cc(C(C)C)nc21
InChIInChI=1S/C20H26N6O3/c1-10(2)9-26-15-14(16(27)23-19(26)28)12(8-13(22-15)11(3)4)17-24-18(25-29-17)20(21)6-5-7-20/h8,10-11H,5-7,9,21H2,1-4H3,(H,23,27,28)
InChIKeyBYQFFBDIJAYUHE-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.25
Rot. Bonds5

About 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 120861296) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID120861296
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(-c3nc(C4(N)CCC4)no3)cc(C(C)C)nc21
InChIInChI=1S/C20H26N6O3/c1-10(2)9-26-15-14(16(27)23-19(26)28)12(8-13(22-15)11(3)4)17-24-18(25-29-17)20(21)6-5-7-20/h8,10-11H,5-7,9,21H2,1-4H3,(H,23,27,28)
InChIKeyBYQFFBDIJAYUHE-UHFFFAOYSA-N
XLogP2.25
TPSA132.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 120851473
1-[5-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861370
1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863440
ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17413883
1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864500
N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37036301
1-[5-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864543
1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 18802061
N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 120654752
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 52649591
1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861529
1-[5-(1-methyl-5-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850853

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 120861296) is 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is CC(C)Cn1c(=O)[nH]c(=O)c2c(-c3nc(C4(N)CCC4)no3)cc(C(C)C)nc21.
What is the InChIKey of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BYQFFBDIJAYUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-10(2)9-26-15-14(16(27)23-19(26)28)12(8-13(22-15)11(3)4)17-24-18(25-29-17)20(21)6-5-7-20/h8,10-11H,5-7,9,21H2,1-4H3,(H,23,27,28).
What are the key properties of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 398.47 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 120861296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).