1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

C23H24F3N5O4 — CID 55582431

About 1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55582431) has the molecular formula C23H24F3N5O4 and a molecular weight of 491.47 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 55582431
• Molecular Formula: C23H24F3N5O4
• Molecular Weight: 491.47 g/mol
• Exact Mass: 491.18
• IUPAC Name: 1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
• SMILES: CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cc(C(C)C)nc21
• InChI: InChI=1S/C23H24F3N5O4/c1-10(2)9-31-20-17(22(34)30-23(31)35)12(7-15(29-20)11(3)4)21(33)27-8-16(32)28-14-6-5-13(24)18(25)19(14)26/h5-7,10-11H,8-9H2,1-4H3,(H,27,33)(H,28,32)(H,30,34,35)
• InChIKey: GTAYOGOPNXTLSE-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 125.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.47
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of 1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 55582431) is 1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for 1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for 1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cc(C(C)C)nc21.

What is the InChIKey of 1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is GTAYOGOPNXTLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O4/c1-10(2)9-31-20-17(22(34)30-23(31)35)12(7-15(29-20)11(3)4)21(33)27-8-16(32)28-14-6-5-13(24)18(25)19(14)26/h5-7,10-11H,8-9H2,1-4H3,(H,27,33)(H,28,32)(H,30,34,35).

What are the key properties of 1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 491.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55582431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).