N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide

C25H23Cl2N5O2S — CID 118112723

About N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide

N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide (PubChem CID 118112723) has the molecular formula C25H23Cl2N5O2S and a molecular weight of 528.47 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 118112723
• Molecular Formula: C25H23Cl2N5O2S
• Molecular Weight: 528.47 g/mol
• Exact Mass: 527.09
• IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide
• SMILES: O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CN2CCN(C(=O)c3cnn4ccccc34)CC2)s1
• InChI: InChI=1S/C25H23Cl2N5O2S/c26-18-5-4-17(21(27)13-18)14-28-24(33)23-7-6-19(35-23)16-30-9-11-31(12-10-30)25(34)20-15-29-32-8-2-1-3-22(20)32/h1-8,13,15H,9-12,14,16H2,(H,28,33)
• InChIKey: HUMCKZODJWRTDQ-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 69.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.47
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide (CID 118112723) is N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CN2CCN(C(=O)c3cnn4ccccc34)CC2)s1.

What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide?

The InChIKey is HUMCKZODJWRTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O2S/c26-18-5-4-17(21(27)13-18)14-28-24(33)23-7-6-19(35-23)16-30-9-11-31(12-10-30)25(34)20-15-29-32-8-2-1-3-22(20)32/h1-8,13,15H,9-12,14,16H2,(H,28,33).

What are the key properties of N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide?

N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide has a molecular weight of 528.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dichlorophenyl)methyl]-5-[[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 118112723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).