5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25N7O2 — CID 55822218

About 5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55822218) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 55822218
• Molecular Formula: C22H25N7O2
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.21
• IUPAC Name: 5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCCn1c(C)nc2ccccc21
• InChI: InChI=1S/C22H25N7O2/c1-13-16(14(2)29-22(26-13)17(12-25-29)21(23)31)8-9-20(30)24-10-11-28-15(3)27-18-6-4-5-7-19(18)28/h4-7,12H,8-11H2,1-3H3,(H2,23,31)(H,24,30)
• InChIKey: RTMWTBITMBWGBZ-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 120.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55822218) is 5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCCn1c(C)nc2ccccc21.

What is the InChIKey of 5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is RTMWTBITMBWGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-13-16(14(2)29-22(26-13)17(12-25-29)21(23)31)8-9-20(30)24-10-11-28-15(3)27-18-6-4-5-7-19(18)28/h4-7,12H,8-11H2,1-3H3,(H2,23,31)(H,24,30).

What are the key properties of 5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55822218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).