5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C₁₉H₂₁FN₆O₂ — CID 155675991

About 5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 155675991) has the molecular formula C₁₉H₂₁FN₆O₂ and a molecular weight of 384.42 g/mol. Its IUPAC name is 5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• PubChem CID: 155675991
• Molecular Formula: C₁₉H₂₁FN₆O₂
• Molecular Weight: 384.42 g/mol
• Exact Mass: 384.17
• IUPAC Name: 5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• SMILES: C[C@@H](N)CCc1ncc(F)cc1C1(Nc2ccn3ncc(C(=O)O)c3n2)CC1
• InChI: InChI=1S/C19H21FN6O2/c1-11(21)2-3-15-14(8-12(20)9-22-15)19(5-6-19)25-16-4-7-26-17(24-16)13(10-23-26)18(27)28/h4,7-11H,2-3,5-6,21H2,1H3,(H,24,25)(H,27,28)/t11-/m1/s1
• InChIKey: UMZVSSDQKFZZAW-LLVKDONJSA-N
• XLogP: 2.34
• TPSA: 118.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.42
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The IUPAC name of 5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 155675991) is 5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

What is the SMILES notation for 5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The canonical SMILES for 5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is C[C@@H](N)CCc1ncc(F)cc1C1(Nc2ccn3ncc(C(=O)O)c3n2)CC1.

What is the InChIKey of 5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The InChIKey is UMZVSSDQKFZZAW-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-11(21)2-3-15-14(8-12(20)9-22-15)19(5-6-19)25-16-4-7-26-17(24-16)13(10-23-26)18(27)28/h4,7-11H,2-3,5-6,21H2,1H3,(H,24,25)(H,27,28)/t11-/m1/s1.

What are the key properties of 5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 384.42 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 155675991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155675991 — identifiers, structure, computed properties (public domain)

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