2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole

C28H32FN5O — CID 134329889

About 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole

2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole (PubChem CID 134329889) has the molecular formula C28H32FN5O and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole.

Molecular Properties

• Compound Name: 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
• PubChem CID: 134329889
• Molecular Formula: C28H32FN5O
• Molecular Weight: 473.60 g/mol
• Exact Mass: 473.26
• IUPAC Name: 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
• SMILES: COc1ncc(CN2CCC(c3ccc4[nH]c(-c5cc(C)ncc5F)c(C(C)C)c4c3)CC2)cn1
• InChI: InChI=1S/C28H32FN5O/c1-17(2)26-23-12-21(5-6-25(23)33-27(26)22-11-18(3)30-15-24(22)29)20-7-9-34(10-8-20)16-19-13-31-28(35-4)32-14-19/h5-6,11-15,17,20,33H,7-10,16H2,1-4H3
• InChIKey: HVBIBEWPZNTCNY-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 66.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.60
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole (CID 134329889) is 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole.

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

The canonical SMILES for 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole is COc1ncc(CN2CCC(c3ccc4[nH]c(-c5cc(C)ncc5F)c(C(C)C)c4c3)CC2)cn1.

What is the InChIKey of 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole?

The InChIKey is HVBIBEWPZNTCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O/c1-17(2)26-23-12-21(5-6-25(23)33-27(26)22-11-18(3)30-15-24(22)29)20-7-9-34(10-8-20)16-19-13-31-28(35-4)32-14-19/h5-6,11-15,17,20,33H,7-10,16H2,1-4H3.

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

2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole has a molecular weight of 473.60 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).