methyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate

C25H35N3O6 — CID 42365660

IUPACmethyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
SMILESCOC(=O)c1c(OCCN2CCCC2=O)cc(=O)n2c1CCN(C(=O)C1C(C)(C)C1(C)C)CC2
InChIInChI=1S/C25H35N3O6/c1-24(2)21(25(24,3)4)22(31)27-10-8-16-20(23(32)33-5)17(15-19(30)28(16)12-11-27)34-14-13-26-9-6-7-18(26)29/h15,21H,6-14H2,1-5H3
InChIKeyFHFPSXLVJQBSFO-UHFFFAOYSA-N
MW473.57 g/mol
LogP1.70
Rot. Bonds6

About methyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate

methyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate (PubChem CID 42365660) has the molecular formula C25H35N3O6 and a molecular weight of 473.57 g/mol. Its IUPAC name is methyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate.

Molecular Properties

Compound Namemethyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
PubChem CID42365660
Molecular FormulaC25H35N3O6
Molecular Weight473.57 g/mol
Exact Mass473.25
IUPAC Namemethyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
SMILESCOC(=O)c1c(OCCN2CCCC2=O)cc(=O)n2c1CCN(C(=O)C1C(C)(C)C1(C)C)CC2
InChIInChI=1S/C25H35N3O6/c1-24(2)21(25(24,3)4)22(31)27-10-8-16-20(23(32)33-5)17(15-19(30)28(16)12-11-27)34-14-13-26-9-6-7-18(26)29/h15,21H,6-14H2,1-5H3
InChIKeyFHFPSXLVJQBSFO-UHFFFAOYSA-N
XLogP1.70
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate with MolForge

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Related Compounds

methyl 3-(2,4-dimethylbenzoyl)-7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 42439992
methyl 3-[(3-hydroxy-4-methoxyphenyl)methyl]-7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 28953427
methyl 9-(2-morpholin-4-ylethoxy)-7-oxo-3-(spiro[2.4]heptane-2-carbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 118755408
methyl 7-oxo-3-(oxolane-2-carbonyl)-9-(3-pyridin-4-ylpropoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 45215132
methyl 3-(4-ethenylbenzoyl)-7-oxo-9-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 42370073
methyl 3-[(4R)-2,2-dimethyloxane-4-carbonyl]-7-oxo-9-(3-phenylpropoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 42169461
methyl 7-oxo-3-[(3R)-5-oxopyrrolidine-3-carbonyl]-9-(2-thiophen-2-ylethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 26329719
methyl 9-[2-(2-fluorophenyl)ethoxy]-7-oxo-3-[(3R)-oxolane-3-carbonyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 26317666
methyl 9-[2-(2-fluorophenyl)ethoxy]-7-oxo-3-(oxolane-3-carbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 45218569
methyl 3-ethyl-9-[3-(1-methylpyrazol-4-yl)propoxy]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 118757687
methyl 3-[(5-methylthiophen-2-yl)methyl]-7-oxo-9-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 26275177
methyl 7-oxo-3-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-9-propan-2-yloxy-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 42433219

Frequently Asked Questions

What is the IUPAC name of methyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?
The IUPAC name of methyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate (CID 42365660) is methyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate.
What is the SMILES notation for methyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?
The canonical SMILES for methyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate is COC(=O)c1c(OCCN2CCCC2=O)cc(=O)n2c1CCN(C(=O)C1C(C)(C)C1(C)C)CC2.
What is the InChIKey of methyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?
The InChIKey is FHFPSXLVJQBSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O6/c1-24(2)21(25(24,3)4)22(31)27-10-8-16-20(23(32)33-5)17(15-19(30)28(16)12-11-27)34-14-13-26-9-6-7-18(26)29/h15,21H,6-14H2,1-5H3.
What are the key properties of methyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?
methyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate has a molecular weight of 473.57 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate is sourced from PubChem (CID 42365660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).