3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine

C28H39FN4 — CID 166839192

About 3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine

3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine (PubChem CID 166839192) has the molecular formula C28H39FN4 and a molecular weight of 450.65 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine.

Molecular Properties

• Compound Name: 3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine
• PubChem CID: 166839192
• Molecular Formula: C28H39FN4
• Molecular Weight: 450.65 g/mol
• Exact Mass: 450.32
• IUPAC Name: 3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine
• SMILES: CCC(CCN(C)C1CCNCC1F)c1ccc2[nH]c(-c3ccnc(C)c3)c(C(C)C)c2c1
• InChI: InChI=1S/C28H39FN4/c1-6-20(11-14-33(5)26-10-12-30-17-24(26)29)21-7-8-25-23(16-21)27(18(2)3)28(32-25)22-9-13-31-19(4)15-22/h7-9,13,15-16,18,20,24,26,30,32H,6,10-12,14,17H2,1-5H3
• InChIKey: RKROCQOZQHOEGB-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 43.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.65
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine?

The IUPAC name of 3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine (CID 166839192) is 3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine.

What is the SMILES notation for 3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine?

The canonical SMILES for 3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine is CCC(CCN(C)C1CCNCC1F)c1ccc2[nH]c(-c3ccnc(C)c3)c(C(C)C)c2c1.

What is the InChIKey of 3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine?

The InChIKey is RKROCQOZQHOEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39FN4/c1-6-20(11-14-33(5)26-10-12-30-17-24(26)29)21-7-8-25-23(16-21)27(18(2)3)28(32-25)22-9-13-31-19(4)15-22/h7-9,13,15-16,18,20,24,26,30,32H,6,10-12,14,17H2,1-5H3.

What are the key properties of 3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine?

3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine has a molecular weight of 450.65 g/mol, XLogP of 6.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine is sourced from PubChem (CID 166839192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).