methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate

C27H28N2O7 — CID 26350770

About methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate

methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate (PubChem CID 26350770) has the molecular formula C27H28N2O7 and a molecular weight of 492.53 g/mol. Its IUPAC name is methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate.

Molecular Properties

• Compound Name: methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
• PubChem CID: 26350770
• Molecular Formula: C27H28N2O7
• Molecular Weight: 492.53 g/mol
• Exact Mass: 492.19
• IUPAC Name: methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
• SMILES: COCc1ccc(C(=O)N2CCc3c(C(=O)OC)c(OC4Cc5ccccc5C4)cc(=O)n3CC2)o1
• InChI: InChI=1S/C27H28N2O7/c1-33-16-19-7-8-22(35-19)26(31)28-10-9-21-25(27(32)34-2)23(15-24(30)29(21)12-11-28)36-20-13-17-5-3-4-6-18(17)14-20/h3-8,15,20H,9-14,16H2,1-2H3
• InChIKey: GXHNCAXLANQBSQ-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 100.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.53
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?

The IUPAC name of methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate (CID 26350770) is methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate.

What is the SMILES notation for methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?

The canonical SMILES for methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate is COCc1ccc(C(=O)N2CCc3c(C(=O)OC)c(OC4Cc5ccccc5C4)cc(=O)n3CC2)o1.

What is the InChIKey of methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?

The InChIKey is GXHNCAXLANQBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O7/c1-33-16-19-7-8-22(35-19)26(31)28-10-9-21-25(27(32)34-2)23(15-24(30)29(21)12-11-28)36-20-13-17-5-3-4-6-18(17)14-20/h3-8,15,20H,9-14,16H2,1-2H3.

What are the key properties of methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?

methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate has a molecular weight of 492.53 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 9-(2,3-dihydro-1H-inden-2-yloxy)-3-[5-(methoxymethyl)furan-2-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate is sourced from PubChem (CID 26350770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).