1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide

C26H27N5O4 — CID 110151763

About 1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide

1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide (PubChem CID 110151763) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide
• PubChem CID: 110151763
• Molecular Formula: C26H27N5O4
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.21
• IUPAC Name: 1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide
• SMILES: Cn1cc(C(=O)Nc2cccc(C(=O)N3CCC4(CN(CCc5ccccc5)C(=O)O4)C3)c2)cn1
• InChI: InChI=1S/C26H27N5O4/c1-29-16-21(15-27-29)23(32)28-22-9-5-8-20(14-22)24(33)30-13-11-26(17-30)18-31(25(34)35-26)12-10-19-6-3-2-4-7-19/h2-9,14-16H,10-13,17-18H2,1H3,(H,28,32)
• InChIKey: BOLTTXGFYMCQRW-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 96.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide?

The IUPAC name of 1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide (CID 110151763) is 1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide?

The canonical SMILES for 1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cccc(C(=O)N3CCC4(CN(CCc5ccccc5)C(=O)O4)C3)c2)cn1.

What is the InChIKey of 1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide?

The InChIKey is BOLTTXGFYMCQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-29-16-21(15-27-29)23(32)28-22-9-5-8-20(14-22)24(33)30-13-11-26(17-30)18-31(25(34)35-26)12-10-19-6-3-2-4-7-19/h2-9,14-16H,10-13,17-18H2,1H3,(H,28,32).

What are the key properties of 1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide?

1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 110151763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).