4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide

C25H31FN4O2 — CID 146395048

About 4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide

4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146395048) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide
• PubChem CID: 146395048
• Molecular Formula: C25H31FN4O2
• Molecular Weight: 438.55 g/mol
• Exact Mass: 438.24
• IUPAC Name: 4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide
• SMILES: Cc1ccc(F)c2c1NC(C(=O)Nc1cccc(N3CCN(C4CCOCC4)CC3)c1)C2
• InChI: InChI=1S/C25H31FN4O2/c1-17-5-6-22(26)21-16-23(28-24(17)21)25(31)27-18-3-2-4-20(15-18)30-11-9-29(10-12-30)19-7-13-32-14-8-19/h2-6,15,19,23,28H,7-14,16H2,1H3,(H,27,31)
• InChIKey: LYMXODZQCUQACW-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 56.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.55
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide?

The IUPAC name of 4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 146395048) is 4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide.

What is the SMILES notation for 4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide?

The canonical SMILES for 4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)Nc1cccc(N3CCN(C4CCOCC4)CC3)c1)C2.

What is the InChIKey of 4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide?

The InChIKey is LYMXODZQCUQACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-17-5-6-22(26)21-16-23(28-24(17)21)25(31)27-18-3-2-4-20(15-18)30-11-9-29(10-12-30)19-7-13-32-14-8-19/h2-6,15,19,23,28H,7-14,16H2,1H3,(H,27,31).

What are the key properties of 4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide?

4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146395048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).