6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide

C20H23F2N5O — CID 119069274

About 6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide

6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide (PubChem CID 119069274) has the molecular formula C20H23F2N5O and a molecular weight of 387.43 g/mol. Its IUPAC name is 6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide
• PubChem CID: 119069274
• Molecular Formula: C20H23F2N5O
• Molecular Weight: 387.43 g/mol
• Exact Mass: 387.19
• IUPAC Name: 6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide
• SMILES: NC(=O)c1cncc(N2CCC3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)n1
• InChI: InChI=1S/C20H23F2N5O/c21-15-3-2-14(8-16(15)22)11-26-6-1-4-20(12-26)5-7-27(13-20)18-10-24-9-17(25-18)19(23)28/h2-3,8-10H,1,4-7,11-13H2,(H2,23,28)
• InChIKey: AUPOYKWFRCJTRL-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 75.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.43
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide?

The IUPAC name of 6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide (CID 119069274) is 6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for 6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide is NC(=O)c1cncc(N2CCC3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)n1.

What is the InChIKey of 6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide?

The InChIKey is AUPOYKWFRCJTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O/c21-15-3-2-14(8-16(15)22)11-26-6-1-4-20(12-26)5-7-27(13-20)18-10-24-9-17(25-18)19(23)28/h2-3,8-10H,1,4-7,11-13H2,(H2,23,28).

What are the key properties of 6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide?

6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 119069274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).