6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

C34H37N5O4 — CID 121393879

About 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 121393879) has the molecular formula C34H37N5O4 and a molecular weight of 579.70 g/mol. Its IUPAC name is 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
• PubChem CID: 121393879
• Molecular Formula: C34H37N5O4
• Molecular Weight: 579.70 g/mol
• Exact Mass: 579.28
• IUPAC Name: 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
• SMILES: COc1ncccc1CN1CCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1
• InChI: InChI=1S/C34H37N5O4/c1-41-34-24(5-3-11-35-34)22-38-12-9-26(10-13-38)36-27-7-8-31-25(19-27)18-23-4-2-6-29(33(23)43-31)30-20-28(21-32(40)37-30)39-14-16-42-17-15-39/h2-8,11,19-21,26,36H,9-10,12-18,22H2,1H3,(H,37,40)
• InChIKey: BLCRSMOEMZUAEI-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 91.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.70
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?

The IUPAC name of 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 121393879) is 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

What is the SMILES notation for 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?

The canonical SMILES for 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is COc1ncccc1CN1CCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1.

What is the InChIKey of 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?

The InChIKey is BLCRSMOEMZUAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O4/c1-41-34-24(5-3-11-35-34)22-38-12-9-26(10-13-38)36-27-7-8-31-25(19-27)18-23-4-2-6-29(33(23)43-31)30-20-28(21-32(40)37-30)39-14-16-42-17-15-39/h2-8,11,19-21,26,36H,9-10,12-18,22H2,1H3,(H,37,40).

What are the key properties of 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?

6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 579.70 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 121393879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).