5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride

C19H23ClN6O3 — CID 120851473

IUPAC5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCCn1c(=O)[nH]c(=O)c2c(-c3nc(C4(N)CCCC4)no3)cc(C3CC3)nc21.Cl
InChIInChI=1S/C19H22N6O3.ClH/c1-2-25-14-13(15(26)22-18(25)27)11(9-12(21-14)10-5-6-10)16-23-17(24-28-16)19(20)7-3-4-8-19;/h9-10H,2-8,20H2,1H3,(H,22,26,27);1H
InChIKeyKDFNSWZEHONSTA-UHFFFAOYSA-N
MW418.89 g/mol
LogP2.18
Rot. Bonds4

About 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride

5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride (PubChem CID 120851473) has the molecular formula C19H23ClN6O3 and a molecular weight of 418.89 g/mol. Its IUPAC name is 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
PubChem CID120851473
Molecular FormulaC19H23ClN6O3
Molecular Weight418.89 g/mol
Exact Mass418.15
IUPAC Name5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCCn1c(=O)[nH]c(=O)c2c(-c3nc(C4(N)CCCC4)no3)cc(C3CC3)nc21.Cl
InChIInChI=1S/C19H22N6O3.ClH/c1-2-25-14-13(15(26)22-18(25)27)11(9-12(21-14)10-5-6-10)16-23-17(24-28-16)19(20)7-3-4-8-19;/h9-10H,2-8,20H2,1H3,(H,22,26,27);1H
InChIKeyKDFNSWZEHONSTA-UHFFFAOYSA-N
XLogP2.18
TPSA132.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride with MolForge

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Related Compounds

7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 120865734
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
1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863351
1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850850
1-[5-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851406
5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 120804444
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55786643
5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 120814683
(4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 71897602
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 37248102
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119629260
1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856838

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride (CID 120851473) is 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride is CCn1c(=O)[nH]c(=O)c2c(-c3nc(C4(N)CCCC4)no3)cc(C3CC3)nc21.Cl.
What is the InChIKey of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The InChIKey is KDFNSWZEHONSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3.ClH/c1-2-25-14-13(15(26)22-18(25)27)11(9-12(21-14)10-5-6-10)16-23-17(24-28-16)19(20)7-3-4-8-19;/h9-10H,2-8,20H2,1H3,(H,22,26,27);1H.
What are the key properties of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 418.89 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 120851473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).