1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one

C32H39N5O2 — CID 137464602

About 1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one

1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one (PubChem CID 137464602) has the molecular formula C32H39N5O2 and a molecular weight of 525.70 g/mol. Its IUPAC name is 1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one.

Molecular Properties

• Compound Name: 1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one
• PubChem CID: 137464602
• Molecular Formula: C32H39N5O2
• Molecular Weight: 525.70 g/mol
• Exact Mass: 525.31
• IUPAC Name: 1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one
• SMILES: CC(C)c1c(-c2cc(-c3cncnc3)c(=O)n(C)c2)[nH]c2ccc(C3CCN(CC4CCOCC4)CC3)cc12
• InChI: InChI=1S/C32H39N5O2/c1-21(2)30-28-14-24(23-6-10-37(11-7-23)18-22-8-12-39-13-9-22)4-5-29(28)35-31(30)25-15-27(32(38)36(3)19-25)26-16-33-20-34-17-26/h4-5,14-17,19-23,35H,6-13,18H2,1-3H3
• InChIKey: ANGFFYTYKIHXLA-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 76.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.70
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one?

The IUPAC name of 1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one (CID 137464602) is 1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one.

What is the SMILES notation for 1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one?

The canonical SMILES for 1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one is CC(C)c1c(-c2cc(-c3cncnc3)c(=O)n(C)c2)[nH]c2ccc(C3CCN(CC4CCOCC4)CC3)cc12.

What is the InChIKey of 1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one?

The InChIKey is ANGFFYTYKIHXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O2/c1-21(2)30-28-14-24(23-6-10-37(11-7-23)18-22-8-12-39-13-9-22)4-5-29(28)35-31(30)25-15-27(32(38)36(3)19-25)26-16-33-20-34-17-26/h4-5,14-17,19-23,35H,6-13,18H2,1-3H3.

What are the key properties of 1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one?

1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one has a molecular weight of 525.70 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one is sourced from PubChem (CID 137464602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).