4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid

C19H21N7O3 — CID 123188164

About 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid

4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid (PubChem CID 123188164) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid
• PubChem CID: 123188164
• Molecular Formula: C19H21N7O3
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.17
• IUPAC Name: 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid
• SMILES: O=C(NC1CCN(C(=O)O)CC1)c1cnn2ccc(NCc3cccnc3)nc12
• InChI: InChI=1S/C19H21N7O3/c27-18(23-14-3-7-25(8-4-14)19(28)29)15-12-22-26-9-5-16(24-17(15)26)21-11-13-2-1-6-20-10-13/h1-2,5-6,9-10,12,14H,3-4,7-8,11H2,(H,21,24)(H,23,27)(H,28,29)
• InChIKey: MUVFQRXVBJPDKB-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 124.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid?

The IUPAC name of 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid (CID 123188164) is 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid.

What is the SMILES notation for 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid?

The canonical SMILES for 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid is O=C(NC1CCN(C(=O)O)CC1)c1cnn2ccc(NCc3cccnc3)nc12.

What is the InChIKey of 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid?

The InChIKey is MUVFQRXVBJPDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c27-18(23-14-3-7-25(8-4-14)19(28)29)15-12-22-26-9-5-16(24-17(15)26)21-11-13-2-1-6-20-10-13/h1-2,5-6,9-10,12,14H,3-4,7-8,11H2,(H,21,24)(H,23,27)(H,28,29).

What are the key properties of 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid?

4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid has a molecular weight of 395.42 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 123188164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).