5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C24H29FN6O5 — CID 149451971

About 5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 149451971) has the molecular formula C24H29FN6O5 and a molecular weight of 500.53 g/mol. Its IUPAC name is 5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• PubChem CID: 149451971
• Molecular Formula: C24H29FN6O5
• Molecular Weight: 500.53 g/mol
• Exact Mass: 500.22
• IUPAC Name: 5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• SMILES: C[C@@H](Nc1ccn2ncc(C(=O)O)c2n1)c1cc(F)cnc1OC1CCC(NC(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C24H29FN6O5/c1-13(28-19-7-8-31-20(30-19)18(12-27-31)22(32)33)17-9-14(25)11-26-21(17)35-16-6-5-15(10-16)29-23(34)36-24(2,3)4/h7-9,11-13,15-16H,5-6,10H2,1-4H3,(H,28,30)(H,29,34)(H,32,33)/t13-,15?,16?/m1/s1
• InChIKey: YXUVLHSXZXGYIV-IUDNXUCKSA-N
• XLogP: 3.96
• TPSA: 139.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.53
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The IUPAC name of 5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 149451971) is 5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

What is the SMILES notation for 5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The canonical SMILES for 5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is C[C@@H](Nc1ccn2ncc(C(=O)O)c2n1)c1cc(F)cnc1OC1CCC(NC(=O)OC(C)(C)C)C1.

What is the InChIKey of 5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The InChIKey is YXUVLHSXZXGYIV-IUDNXUCKSA-N. The full InChI is InChI=1S/C24H29FN6O5/c1-13(28-19-7-8-31-20(30-19)18(12-27-31)22(32)33)17-9-14(25)11-26-21(17)35-16-6-5-15(10-16)29-23(34)36-24(2,3)4/h7-9,11-13,15-16H,5-6,10H2,1-4H3,(H,28,30)(H,29,34)(H,32,33)/t13-,15?,16?/m1/s1.

What are the key properties of 5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 500.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 149451971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).