6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H28ClN7O2 — CID 55875856

About 6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55875856) has the molecular formula C23H28ClN7O2 and a molecular weight of 469.98 g/mol. Its IUPAC name is 6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 55875856
• Molecular Formula: C23H28ClN7O2
• Molecular Weight: 469.98 g/mol
• Exact Mass: 469.20
• IUPAC Name: 6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1
• InChI: InChI=1S/C23H28ClN7O2/c1-14-17(15(2)31-23(27-14)18(13-26-31)22(25)33)5-7-21(32)28-19-12-16(24)4-6-20(19)30-10-8-29(3)9-11-30/h4,6,12-13H,5,7-11H2,1-3H3,(H2,25,33)(H,28,32)
• InChIKey: WEIZKACWQZAZEN-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 108.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.98
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55875856) is 6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1.

What is the InChIKey of 6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is WEIZKACWQZAZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN7O2/c1-14-17(15(2)31-23(27-14)18(13-26-31)22(25)33)5-7-21(32)28-19-12-16(24)4-6-20(19)30-10-8-29(3)9-11-30/h4,6,12-13H,5,7-11H2,1-3H3,(H2,25,33)(H,28,32).

What are the key properties of 6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 469.98 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55875856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).