6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H32N6O2 — CID 55736922

About 6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55736922) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 55736922
• Molecular Formula: C20H32N6O2
• Molecular Weight: 388.52 g/mol
• Exact Mass: 388.26
• IUPAC Name: 6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCCN(C(C)C)C(C)C
• InChI: InChI=1S/C20H32N6O2/c1-12(2)25(13(3)4)10-9-22-18(27)8-7-16-14(5)24-20-17(19(21)28)11-23-26(20)15(16)6/h11-13H,7-10H2,1-6H3,(H2,21,28)(H,22,27)
• InChIKey: JNZQPLXICJVMIZ-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 105.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.52
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55736922) is 6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCCN(C(C)C)C(C)C.

What is the InChIKey of 6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is JNZQPLXICJVMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O2/c1-12(2)25(13(3)4)10-9-22-18(27)8-7-16-14(5)24-20-17(19(21)28)11-23-26(20)15(16)6/h11-13H,7-10H2,1-6H3,(H2,21,28)(H,22,27).

What are the key properties of 6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55736922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).