2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide

C26H29N5O2S — CID 69202948

About 2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide

2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide (PubChem CID 69202948) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is 2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide
• PubChem CID: 69202948
• Molecular Formula: C26H29N5O2S
• Molecular Weight: 475.62 g/mol
• Exact Mass: 475.20
• IUPAC Name: 2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide
• SMILES: COCC(=O)NCC#Cc1cc(-c2n[nH]c3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)cs1
• InChI: InChI=1S/C26H29N5O2S/c1-30-8-10-31(11-9-30)15-18-5-6-19-14-23-25(28-29-26(23)22(19)12-18)20-13-21(34-17-20)4-3-7-27-24(32)16-33-2/h5-6,12-13,17H,7-11,14-16H2,1-2H3,(H,27,32)(H,28,29)
• InChIKey: VJUKUHKYAONJLP-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 73.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.62
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide?

The IUPAC name of 2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide (CID 69202948) is 2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide.

What is the SMILES notation for 2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide?

The canonical SMILES for 2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide is COCC(=O)NCC#Cc1cc(-c2n[nH]c3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)cs1.

What is the InChIKey of 2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide?

The InChIKey is VJUKUHKYAONJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c1-30-8-10-31(11-9-30)15-18-5-6-19-14-23-25(28-29-26(23)22(19)12-18)20-13-21(34-17-20)4-3-7-27-24(32)16-33-2/h5-6,12-13,17H,7-11,14-16H2,1-2H3,(H,27,32)(H,28,29).

What are the key properties of 2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide?

2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide has a molecular weight of 475.62 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[3-[4-[7-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]thiophen-2-yl]prop-2-ynyl]acetamide is sourced from PubChem (CID 69202948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).