7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C26H28N4O5 — CID 55587538

About 7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55587538) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is 7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 55587538
• Molecular Formula: C26H28N4O5
• Molecular Weight: 476.53 g/mol
• Exact Mass: 476.21
• IUPAC Name: 7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
• SMILES: COc1cccc2cc(C(C)NC(=O)c3cc(C4CC4)nc4c3c(=O)[nH]c(=O)n4CC(C)C)oc12
• InChI: InChI=1S/C26H28N4O5/c1-13(2)12-30-23-21(25(32)29-26(30)33)17(11-18(28-23)15-8-9-15)24(31)27-14(3)20-10-16-6-5-7-19(34-4)22(16)35-20/h5-7,10-11,13-15H,8-9,12H2,1-4H3,(H,27,31)(H,29,32,33)
• InChIKey: WGGXDRGLOGUMLF-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 119.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.53
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of 7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 55587538) is 7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for 7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for 7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is COc1cccc2cc(C(C)NC(=O)c3cc(C4CC4)nc4c3c(=O)[nH]c(=O)n4CC(C)C)oc12.

What is the InChIKey of 7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is WGGXDRGLOGUMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-13(2)12-30-23-21(25(32)29-26(30)33)17(11-18(28-23)15-8-9-15)24(31)27-14(3)20-10-16-6-5-7-19(34-4)22(16)35-20/h5-7,10-11,13-15H,8-9,12H2,1-4H3,(H,27,31)(H,29,32,33).

What are the key properties of 7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?

7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55587538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).