(5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C19H24N4O3 — CID 95897451

About (5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 95897451) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

• Compound Name: (5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• PubChem CID: 95897451
• Molecular Formula: C19H24N4O3
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.18
• IUPAC Name: (5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• SMILES: COc1ccc(CN2CC[C@@]3(C2)CN(C)C(=O)O3)cc1Cn1cccn1
• InChI: InChI=1S/C19H24N4O3/c1-21-13-19(26-18(21)24)6-9-22(14-19)11-15-4-5-17(25-2)16(10-15)12-23-8-3-7-20-23/h3-5,7-8,10H,6,9,11-14H2,1-2H3/t19-/m0/s1
• InChIKey: TZCRZKCSLHQJQY-IBGZPJMESA-N
• XLogP: 1.97
• TPSA: 59.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The IUPAC name of (5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 95897451) is (5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

What is the SMILES notation for (5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The canonical SMILES for (5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is COc1ccc(CN2CC[C@@]3(C2)CN(C)C(=O)O3)cc1Cn1cccn1.

What is the InChIKey of (5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The InChIKey is TZCRZKCSLHQJQY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O3/c1-21-13-19(26-18(21)24)6-9-22(14-19)11-15-4-5-17(25-2)16(10-15)12-23-8-3-7-20-23/h3-5,7-8,10H,6,9,11-14H2,1-2H3/t19-/m0/s1.

What are the key properties of (5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

(5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 356.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 95897451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).