6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H26N6O3 — CID 55852268

About 6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55852268) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 55852268
• Molecular Formula: C22H26N6O3
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.21
• IUPAC Name: 6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(=O)N(C)Cc1cccc(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c1
• InChI: InChI=1S/C22H26N6O3/c1-13-18(14(2)28-22(25-13)19(11-24-28)21(23)31)8-9-20(30)26-17-7-5-6-16(10-17)12-27(4)15(3)29/h5-7,10-11H,8-9,12H2,1-4H3,(H2,23,31)(H,26,30)
• InChIKey: AMCYHRKFFVLYGB-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 122.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55852268) is 6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(=O)N(C)Cc1cccc(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c1.

What is the InChIKey of 6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is AMCYHRKFFVLYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-13-18(14(2)28-22(25-13)19(11-24-28)21(23)31)8-9-20(30)26-17-7-5-6-16(10-17)12-27(4)15(3)29/h5-7,10-11H,8-9,12H2,1-4H3,(H2,23,31)(H,26,30).

What are the key properties of 6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55852268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).