N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C26H26F3N7O4 — CID 24780525

About N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 24780525) has the molecular formula C26H26F3N7O4 and a molecular weight of 557.53 g/mol. Its IUPAC name is N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 24780525
• Molecular Formula: C26H26F3N7O4
• Molecular Weight: 557.53 g/mol
• Exact Mass: 557.20
• IUPAC Name: N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21
• InChI: InChI=1S/C26H26F3N7O4/c1-3-10-35-22-20(24(38)36(25(35)39)17-6-7-17)32-21(33-22)15-5-9-19(31-13-15)34(11-12-40-2)23(37)16-4-8-18(30-14-16)26(27,28)29/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3,(H,32,33)
• InChIKey: DPZGVJCSPVXRGA-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 128.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.53
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 24780525) is N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide is CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.

What is the InChIKey of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is DPZGVJCSPVXRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O4/c1-3-10-35-22-20(24(38)36(25(35)39)17-6-7-17)32-21(33-22)15-5-9-19(31-13-15)34(11-12-40-2)23(37)16-4-8-18(30-14-16)26(27,28)29/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3,(H,32,33).

What are the key properties of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?

N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 557.53 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 24780525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).