9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one

C19H29N5O2 — CID 97128159

About 9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one

9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97128159) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97128159
• Molecular Formula: C19H29N5O2
• Molecular Weight: 359.47 g/mol
• Exact Mass: 359.23
• IUPAC Name: 9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: COc1nccnc1N1CCC2(CCC(=O)N([C@@H]3CCN(C)C3)C2)CC1
• InChI: InChI=1S/C19H29N5O2/c1-22-10-4-15(13-22)24-14-19(5-3-16(24)25)6-11-23(12-7-19)17-18(26-2)21-9-8-20-17/h8-9,15H,3-7,10-14H2,1-2H3/t15-/m1/s1
• InChIKey: RSRUXUTVQZVCGD-OAHLLOKOSA-N
• XLogP: 1.40
• TPSA: 61.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.47
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97128159) is 9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one is COc1nccnc1N1CCC2(CCC(=O)N([C@@H]3CCN(C)C3)C2)CC1.

What is the InChIKey of 9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is RSRUXUTVQZVCGD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-22-10-4-15(13-22)24-14-19(5-3-16(24)25)6-11-23(12-7-19)17-18(26-2)21-9-8-20-17/h8-9,15H,3-7,10-14H2,1-2H3/t15-/m1/s1.

What are the key properties of 9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one?

9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 359.47 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-methoxypyrazin-2-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97128159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).