(4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one

C19H26N4O2 — CID 97384138

About (4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one

(4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97384138) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: (4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 97384138
• Molecular Formula: C19H26N4O2
• Molecular Weight: 342.44 g/mol
• Exact Mass: 342.21
• IUPAC Name: (4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
• SMILES: Cc1ccc(CN2CCC3(CC2)[C@H](c2cnn(C)c2)CC(=O)N3C)o1
• InChI: InChI=1S/C19H26N4O2/c1-14-4-5-16(25-14)13-23-8-6-19(7-9-23)17(10-18(24)22(19)3)15-11-20-21(2)12-15/h4-5,11-12,17H,6-10,13H2,1-3H3/t17-/m0/s1
• InChIKey: UTSALGOXORAIAW-KRWDZBQOSA-N
• XLogP: 2.30
• TPSA: 54.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.44
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of (4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (CID 97384138) is (4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for (4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for (4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is Cc1ccc(CN2CCC3(CC2)[C@H](c2cnn(C)c2)CC(=O)N3C)o1.

What is the InChIKey of (4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?

The InChIKey is UTSALGOXORAIAW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-4-5-16(25-14)13-23-8-6-19(7-9-23)17(10-18(24)22(19)3)15-11-20-21(2)12-15/h4-5,11-12,17H,6-10,13H2,1-3H3/t17-/m0/s1.

What are the key properties of (4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?

(4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97384138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).