3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide

C24H32N8O2 — CID 121410163

About 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide

3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide (PubChem CID 121410163) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
• PubChem CID: 121410163
• Molecular Formula: C24H32N8O2
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.26
• IUPAC Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
• SMILES: Cc1cc(Nc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cnc1N1CCN(C)CC1
• InChI: InChI=1S/C24H32N8O2/c1-14-9-17(10-15(2)20(14)33)12-26-22-19(21(25)34)23(30-29-22)28-18-11-16(3)24(27-13-18)32-7-5-31(4)6-8-32/h9-11,13,33H,5-8,12H2,1-4H3,(H2,25,34)(H3,26,28,29,30)
• InChIKey: LINPBIZAINPWOA-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 135.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?

The IUPAC name of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide (CID 121410163) is 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide is Cc1cc(Nc2[nH]nc(NCc3cc(C)c(O)c(C)c3)c2C(N)=O)cnc1N1CCN(C)CC1.

What is the InChIKey of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?

The InChIKey is LINPBIZAINPWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-14-9-17(10-15(2)20(14)33)12-26-22-19(21(25)34)23(30-29-22)28-18-11-16(3)24(27-13-18)32-7-5-31(4)6-8-32/h9-11,13,33H,5-8,12H2,1-4H3,(H2,25,34)(H3,26,28,29,30).

What are the key properties of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide?

3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 2.64, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 121410163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).