3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine

C24H30BrN7 — CID 143440446

About 3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine

3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine (PubChem CID 143440446) has the molecular formula C24H30BrN7 and a molecular weight of 496.46 g/mol. Its IUPAC name is 3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine.

Molecular Properties

• Compound Name: 3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine
• PubChem CID: 143440446
• Molecular Formula: C24H30BrN7
• Molecular Weight: 496.46 g/mol
• Exact Mass: 495.17
• IUPAC Name: 3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine
• SMILES: Brc1cnn2c(NCc3cccnc3)cc(N3CCCCC3)nc12.CC.c1ccncc1
• InChI: InChI=1S/C17H19BrN6.C5H5N.C2H6/c18-14-12-21-24-15(20-11-13-5-4-6-19-10-13)9-16(22-17(14)24)23-7-2-1-3-8-23;1-2-4-6-5-3-1;1-2/h4-6,9-10,12,20H,1-3,7-8,11H2;1-5H;1-2H3
• InChIKey: IOKDGUDLFKUJBN-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 71.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.46
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine?

The IUPAC name of 3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine (CID 143440446) is 3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine.

What is the SMILES notation for 3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine?

The canonical SMILES for 3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine is Brc1cnn2c(NCc3cccnc3)cc(N3CCCCC3)nc12.CC.c1ccncc1.

What is the InChIKey of 3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine?

The InChIKey is IOKDGUDLFKUJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN6.C5H5N.C2H6/c18-14-12-21-24-15(20-11-13-5-4-6-19-10-13)9-16(22-17(14)24)23-7-2-1-3-8-23;1-2-4-6-5-3-1;1-2/h4-6,9-10,12,20H,1-3,7-8,11H2;1-5H;1-2H3.

What are the key properties of 3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine?

3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine has a molecular weight of 496.46 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine is sourced from PubChem (CID 143440446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).