5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C21H28N6 — CID 70771078

About 5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70771078) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 70771078
• Molecular Formula: C21H28N6
• Molecular Weight: 364.50 g/mol
• Exact Mass: 364.24
• IUPAC Name: 5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CCc1cc(NC2CCCN(Cc3cccnc3)C2)n2nc(C)c(C)c2n1
• InChI: InChI=1S/C21H28N6/c1-4-18-11-20(27-21(24-18)15(2)16(3)25-27)23-19-8-6-10-26(14-19)13-17-7-5-9-22-12-17/h5,7,9,11-12,19,23H,4,6,8,10,13-14H2,1-3H3
• InChIKey: MEHFWJGHZAMNOR-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 58.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.50
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 70771078) is 5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NC2CCCN(Cc3cccnc3)C2)n2nc(C)c(C)c2n1.

What is the InChIKey of 5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is MEHFWJGHZAMNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-4-18-11-20(27-21(24-18)15(2)16(3)25-27)23-19-8-6-10-26(14-19)13-17-7-5-9-22-12-17/h5,7,9,11-12,19,23H,4,6,8,10,13-14H2,1-3H3.

What are the key properties of 5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 364.50 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70771078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).