5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H28N6O — CID 76683038

About 5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 76683038) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 76683038
• Molecular Formula: C23H28N6O
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.23
• IUPAC Name: 5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC1(C)C2CCC1(C)C(NC(=O)c1cnn3ccc(NCc4cccnc4)nc13)C2
• InChI: InChI=1S/C23H28N6O/c1-22(2)16-6-8-23(22,3)18(11-16)27-21(30)17-14-26-29-10-7-19(28-20(17)29)25-13-15-5-4-9-24-12-15/h4-5,7,9-10,12,14,16,18H,6,8,11,13H2,1-3H3,(H,25,28)(H,27,30)
• InChIKey: NLBYMZBTLVBWIS-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 84.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 76683038) is 5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)C2CCC1(C)C(NC(=O)c1cnn3ccc(NCc4cccnc4)nc13)C2.

What is the InChIKey of 5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is NLBYMZBTLVBWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-22(2)16-6-8-23(22,3)18(11-16)27-21(30)17-14-26-29-10-7-19(28-20(17)29)25-13-15-5-4-9-24-12-15/h4-5,7,9-10,12,14,16,18H,6,8,11,13H2,1-3H3,(H,25,28)(H,27,30).

What are the key properties of 5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 76683038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).