N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide

C28H28ClN5O4 — CID 146575330

About N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide

N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 146575330) has the molecular formula C28H28ClN5O4 and a molecular weight of 534.02 g/mol. Its IUPAC name is N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide
• PubChem CID: 146575330
• Molecular Formula: C28H28ClN5O4
• Molecular Weight: 534.02 g/mol
• Exact Mass: 533.18
• IUPAC Name: N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide
• SMILES: Cn1nccc1C(=O)NC(C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1)C1CCc2cccc(Cl)c21
• InChI: InChI=1S/C28H28ClN5O4/c1-34-22(9-12-30-34)25(35)33-24(18-7-5-16-3-2-4-20(29)23(16)18)26(36)31-17-6-8-19-21(15-17)32-27(37)28(19)10-13-38-14-11-28/h2-4,6,8-9,12,15,18,24H,5,7,10-11,13-14H2,1H3,(H,31,36)(H,32,37)(H,33,35)
• InChIKey: CISHMDPPIRZMPV-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 114.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.02
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide?

The IUPAC name of N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide (CID 146575330) is N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide.

What is the SMILES notation for N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide?

The canonical SMILES for N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC(C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1)C1CCc2cccc(Cl)c21.

What is the InChIKey of N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide?

The InChIKey is CISHMDPPIRZMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN5O4/c1-34-22(9-12-30-34)25(35)33-24(18-7-5-16-3-2-4-20(29)23(16)18)26(36)31-17-6-8-19-21(15-17)32-27(37)28(19)10-13-38-14-11-28/h2-4,6,8-9,12,15,18,24H,5,7,10-11,13-14H2,1H3,(H,31,36)(H,32,37)(H,33,35).

What are the key properties of N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide?

N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 534.02 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 146575330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).