5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C25H33N7O6 — CID 137450436

About 5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 137450436) has the molecular formula C25H33N7O6 and a molecular weight of 527.58 g/mol. Its IUPAC name is 5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• PubChem CID: 137450436
• Molecular Formula: C25H33N7O6
• Molecular Weight: 527.58 g/mol
• Exact Mass: 527.25
• IUPAC Name: 5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• SMILES: COc1ncccc1Nc1cc(N(CCCN2CCOCC2)C(=O)OC(C)(C)C)n2ncc(C(=O)O)c2n1
• InChI: InChI=1S/C25H33N7O6/c1-25(2,3)38-24(35)31(10-6-9-30-11-13-37-14-12-30)20-15-19(28-18-7-5-8-26-22(18)36-4)29-21-17(23(33)34)16-27-32(20)21/h5,7-8,15-16H,6,9-14H2,1-4H3,(H,28,29)(H,33,34)
• InChIKey: TWXVWFFVFQSTEA-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 143.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.58
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The IUPAC name of 5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 137450436) is 5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

What is the SMILES notation for 5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The canonical SMILES for 5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COc1ncccc1Nc1cc(N(CCCN2CCOCC2)C(=O)OC(C)(C)C)n2ncc(C(=O)O)c2n1.

What is the InChIKey of 5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The InChIKey is TWXVWFFVFQSTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O6/c1-25(2,3)38-24(35)31(10-6-9-30-11-13-37-14-12-30)20-15-19(28-18-7-5-8-26-22(18)36-4)29-21-17(23(33)34)16-27-32(20)21/h5,7-8,15-16H,6,9-14H2,1-4H3,(H,28,29)(H,33,34).

What are the key properties of 5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 527.58 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-methoxy-3-pyridinyl)amino]-7-[(2-methylpropan-2-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 137450436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).