tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

C18H24N4O5 — CID 168692904

IUPACtert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ncc3c(n2)CCN(C(=O)OC(C)(C)C)C3)C1
InChIInChI=1S/C18H24N4O5/c1-18(2,3)27-17(25)21-6-5-13-12(9-21)8-19-16(20-13)22-10-11(7-14(22)23)15(24)26-4/h8,11H,5-7,9-10H2,1-4H3
InChIKeyGFZATAHUOKTMEU-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.30
Rot. Bonds2

About tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate (PubChem CID 168692904) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
PubChem CID168692904
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Nametert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ncc3c(n2)CCN(C(=O)OC(C)(C)C)C3)C1
InChIInChI=1S/C18H24N4O5/c1-18(2,3)27-17(25)21-6-5-13-12(9-21)8-19-16(20-13)22-10-11(7-14(22)23)15(24)26-4/h8,11H,5-7,9-10H2,1-4H3
InChIKeyGFZATAHUOKTMEU-UHFFFAOYSA-N
XLogP1.30
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 168692884
tert-butyl 2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 168503572
tert-butyl 2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 46261777
tert-butyl 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 168701772
tert-butyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 168680541
(2S)-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 146223765
tert-butyl 2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 86767357
tert-butyl 2-anilino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 45106267
4-amino-2-[(2S)-2-(hydroxymethyl)-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid
CID 146223869
1-O-tert-butyl 3-O-methyl 5-oxoazepane-1,3-dicarboxylate
CID 83670924
tert-butyl 2-[[2-methoxyethyl(methyl)amino]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 20825942
tert-butyl 2-(4-carbamoylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 118174370

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
The IUPAC name of tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate (CID 168692904) is tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate is COC(=O)C1CC(=O)N(c2ncc3c(n2)CCN(C(=O)OC(C)(C)C)C3)C1.
What is the InChIKey of tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
The InChIKey is GFZATAHUOKTMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-18(2,3)27-17(25)21-6-5-13-12(9-21)8-19-16(20-13)22-10-11(7-14(22)23)15(24)26-4/h8,11H,5-7,9-10H2,1-4H3.
What are the key properties of tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 168692904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).