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

C29H35N5O — CID 137464342

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

1-methyl-5-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one (PubChem CID 137464342) has the molecular formula C29H35N5O and a molecular weight of 469.63 g/mol. Its IUPAC name is 1-methyl-5-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one.

Molecular Properties

• Compound Name: 1-methyl-5-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one
• PubChem CID: 137464342
• Molecular Formula: C29H35N5O
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.28
• IUPAC Name: 1-methyl-5-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-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(C(C)C)CC3)cc12
• InChI: InChI=1S/C29H35N5O/c1-18(2)27-25-12-21(20-8-10-34(11-9-20)19(3)4)6-7-26(25)32-28(27)22-13-24(29(35)33(5)16-22)23-14-30-17-31-15-23/h6-7,12-20,32H,8-11H2,1-5H3
• InChIKey: SBBGZULIWVSWTC-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-methyl-5-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one (CID 137464342) is 1-methyl-5-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one.

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

The canonical SMILES for 1-methyl-5-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-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(C(C)C)CC3)cc12.

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

The InChIKey is SBBGZULIWVSWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O/c1-18(2)27-25-12-21(20-8-10-34(11-9-20)19(3)4)6-7-26(25)32-28(27)22-13-24(29(35)33(5)16-22)23-14-30-17-31-15-23/h6-7,12-20,32H,8-11H2,1-5H3.

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

1-methyl-5-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one has a molecular weight of 469.63 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one is sourced from PubChem (CID 137464342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).