9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H29N5O2 — CID 72840790

About 9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72840790) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72840790
• Molecular Formula: C22H29N5O2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.23
• IUPAC Name: 9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)c2ccn(C)c2C)CC3)cn1
• InChI: InChI=1S/C22H29N5O2/c1-16-12-24-18(13-23-16)14-27-15-22(6-4-20(27)28)7-10-26(11-8-22)21(29)19-5-9-25(3)17(19)2/h5,9,12-13H,4,6-8,10-11,14-15H2,1-3H3
• InChIKey: MJXKPNIUIKXGAW-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 71.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72840790) is 9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)c2ccn(C)c2C)CC3)cn1.

What is the InChIKey of 9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is MJXKPNIUIKXGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-12-24-18(13-23-16)14-27-15-22(6-4-20(27)28)7-10-26(11-8-22)21(29)19-5-9-25(3)17(19)2/h5,9,12-13H,4,6-8,10-11,14-15H2,1-3H3.

What are the key properties of 9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 395.51 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72840790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).