5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide

C28H29F2N5O2 — CID 135134511

About 5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide

5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide (PubChem CID 135134511) has the molecular formula C28H29F2N5O2 and a molecular weight of 505.57 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide
• PubChem CID: 135134511
• Molecular Formula: C28H29F2N5O2
• Molecular Weight: 505.57 g/mol
• Exact Mass: 505.23
• IUPAC Name: 5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide
• SMILES: CN1CCC(NC(=O)c2cc(-c3ccnn3-c3ccc(F)cc3F)cc3c2NC(=O)C32CCCC2)CC1
• InChI: InChI=1S/C28H29F2N5O2/c1-34-12-7-19(8-13-34)32-26(36)20-14-17(15-21-25(20)33-27(37)28(21)9-2-3-10-28)23-6-11-31-35(23)24-5-4-18(29)16-22(24)30/h4-6,11,14-16,19H,2-3,7-10,12-13H2,1H3,(H,32,36)(H,33,37)
• InChIKey: HDLYOVHFOIQSBO-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.57
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide?

The IUPAC name of 5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide (CID 135134511) is 5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide.

What is the SMILES notation for 5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide?

The canonical SMILES for 5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide is CN1CCC(NC(=O)c2cc(-c3ccnn3-c3ccc(F)cc3F)cc3c2NC(=O)C32CCCC2)CC1.

What is the InChIKey of 5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide?

The InChIKey is HDLYOVHFOIQSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N5O2/c1-34-12-7-19(8-13-34)32-26(36)20-14-17(15-21-25(20)33-27(37)28(21)9-2-3-10-28)23-6-11-31-35(23)24-5-4-18(29)16-22(24)30/h4-6,11,14-16,19H,2-3,7-10,12-13H2,1H3,(H,32,36)(H,33,37).

What are the key properties of 5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide?

5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide has a molecular weight of 505.57 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide is sourced from PubChem (CID 135134511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).