8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide

C26H24FN7O4 — CID 142564995

About 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide

8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide (PubChem CID 142564995) has the molecular formula C26H24FN7O4 and a molecular weight of 517.52 g/mol. Its IUPAC name is 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide.

Molecular Properties

• Compound Name: 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide
• PubChem CID: 142564995
• Molecular Formula: C26H24FN7O4
• Molecular Weight: 517.52 g/mol
• Exact Mass: 517.19
• IUPAC Name: 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide
• SMILES: Cc1ccccc1NC(=O)c1cc2n(CC(=O)Nc3ccc(F)cn3)c3c(c(=O)n2n1)CN(C(C)C)C3=O
• InChI: InChI=1S/C26H24FN7O4/c1-14(2)32-12-17-23(26(32)38)33(13-21(35)30-20-9-8-16(27)11-28-20)22-10-19(31-34(22)25(17)37)24(36)29-18-7-5-4-6-15(18)3/h4-11,14H,12-13H2,1-3H3,(H,29,36)(H,28,30,35)
• InChIKey: LPMBRULMTPJIFN-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 130.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.52
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide?

The IUPAC name of 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide (CID 142564995) is 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide.

What is the SMILES notation for 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide?

The canonical SMILES for 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide is Cc1ccccc1NC(=O)c1cc2n(CC(=O)Nc3ccc(F)cn3)c3c(c(=O)n2n1)CN(C(C)C)C3=O.

What is the InChIKey of 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide?

The InChIKey is LPMBRULMTPJIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O4/c1-14(2)32-12-17-23(26(32)38)33(13-21(35)30-20-9-8-16(27)11-28-20)22-10-19(31-34(22)25(17)37)24(36)29-18-7-5-4-6-15(18)3/h4-11,14H,12-13H2,1-3H3,(H,29,36)(H,28,30,35).

What are the key properties of 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide?

8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide has a molecular weight of 517.52 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methylphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide is sourced from PubChem (CID 142564995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).