1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone

C26H26F2N6O2 — CID 129202519

About 1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone

1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone (PubChem CID 129202519) has the molecular formula C26H26F2N6O2 and a molecular weight of 492.53 g/mol. Its IUPAC name is 1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone.

Molecular Properties

• Compound Name: 1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone
• PubChem CID: 129202519
• Molecular Formula: C26H26F2N6O2
• Molecular Weight: 492.53 g/mol
• Exact Mass: 492.21
• IUPAC Name: 1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone
• SMILES: CCC1(C)C(C)=Nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)ncc3F)cc21
• InChI: InChI=1S/C26H26F2N6O2/c1-4-26(3)14(2)30-24-17(26)9-16(10-18(24)27)23-19(28)11-29-25(33-23)32-21-6-5-15-12-34(22(36)13-35)8-7-20(15)31-21/h5-6,9-11,35H,4,7-8,12-13H2,1-3H3,(H,29,31,32,33)
• InChIKey: UMJDAZSXABEMLH-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 103.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.53
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone?

The IUPAC name of 1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone (CID 129202519) is 1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone.

What is the SMILES notation for 1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone?

The canonical SMILES for 1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone is CCC1(C)C(C)=Nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)ncc3F)cc21.

What is the InChIKey of 1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone?

The InChIKey is UMJDAZSXABEMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O2/c1-4-26(3)14(2)30-24-17(26)9-16(10-18(24)27)23-19(28)11-29-25(33-23)32-21-6-5-15-12-34(22(36)13-35)8-7-20(15)31-21/h5-6,9-11,35H,4,7-8,12-13H2,1-3H3,(H,29,31,32,33).

What are the key properties of 1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone?

1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone has a molecular weight of 492.53 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone is sourced from PubChem (CID 129202519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).