6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine

C26H29F2N7O — CID 134573335

About 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine

6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine (PubChem CID 134573335) has the molecular formula C26H29F2N7O and a molecular weight of 493.56 g/mol. Its IUPAC name is 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine
• PubChem CID: 134573335
• Molecular Formula: C26H29F2N7O
• Molecular Weight: 493.56 g/mol
• Exact Mass: 493.24
• IUPAC Name: 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine
• SMILES: CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5c(cc(C)n5CC)c4F)c3F)nc2)CC1
• InChI: InChI=1S/C26H29F2N7O/c1-4-33-10-12-34(13-11-33)18-6-9-22(29-15-18)32-25-24(28)26(31-16-30-25)36-21-8-7-20-19(23(21)27)14-17(3)35(20)5-2/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,29,30,31,32)
• InChIKey: ALQYCGKXNNQLLJ-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 71.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.56
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine?

The IUPAC name of 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine (CID 134573335) is 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine.

What is the SMILES notation for 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine?

The canonical SMILES for 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine is CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5c(cc(C)n5CC)c4F)c3F)nc2)CC1.

What is the InChIKey of 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine?

The InChIKey is ALQYCGKXNNQLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O/c1-4-33-10-12-34(13-11-33)18-6-9-22(29-15-18)32-25-24(28)26(31-16-30-25)36-21-8-7-20-19(23(21)27)14-17(3)35(20)5-2/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,29,30,31,32).

What are the key properties of 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine?

6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine has a molecular weight of 493.56 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 134573335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).