N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide

C23H23FN8O2 — CID 134573327

About N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide

N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide (PubChem CID 134573327) has the molecular formula C23H23FN8O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide.

Molecular Properties

• Compound Name: N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide
• PubChem CID: 134573327
• Molecular Formula: C23H23FN8O2
• Molecular Weight: 462.49 g/mol
• Exact Mass: 462.19
• IUPAC Name: N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide
• SMILES: Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3NC=O)ccc2[nH]1
• InChI: InChI=1S/C23H23FN8O2/c1-14-10-16-17(30-14)3-4-18(20(16)24)34-23-21(29-13-33)22(27-12-28-23)31-19-5-2-15(11-26-19)32-8-6-25-7-9-32/h2-5,10-13,25,30H,6-9H2,1H3,(H,29,33)(H,26,27,28,31)
• InChIKey: KIFCMVUORJGJJV-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 120.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.49
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide?

The IUPAC name of N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide (CID 134573327) is N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide.

What is the SMILES notation for N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide?

The canonical SMILES for N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide is Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3NC=O)ccc2[nH]1.

What is the InChIKey of N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide?

The InChIKey is KIFCMVUORJGJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O2/c1-14-10-16-17(30-14)3-4-18(20(16)24)34-23-21(29-13-33)22(27-12-28-23)31-19-5-2-15(11-26-19)32-8-6-25-7-9-32/h2-5,10-13,25,30H,6-9H2,1H3,(H,29,33)(H,26,27,28,31).

What are the key properties of N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide?

N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide has a molecular weight of 462.49 g/mol, XLogP of 3.31, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide is sourced from PubChem (CID 134573327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).