4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid

C20H23FN6O2 — CID 146209552

IUPAC4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid
SMILESCC(CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(N)c2n1)C(=O)O
InChIInChI=1S/C20H23FN6O2/c1-12(20(28)29)4-5-16-14(9-13(21)10-23-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(22)11-24-27/h6,8-12,17H,2-5,7,22H2,1H3,(H,28,29)
InChIKeyIDDUADSQLGOFDI-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.84
Rot. Bonds6

About 4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid

4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid (PubChem CID 146209552) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid
PubChem CID146209552
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid
SMILESCC(CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(N)c2n1)C(=O)O
InChIInChI=1S/C20H23FN6O2/c1-12(20(28)29)4-5-16-14(9-13(21)10-23-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(22)11-24-27/h6,8-12,17H,2-5,7,22H2,1H3,(H,28,29)
InChIKeyIDDUADSQLGOFDI-UHFFFAOYSA-N
XLogP2.84
TPSA109.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid with MolForge

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Related Compounds

(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid
CID 20664141
(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-b]pyridazin-3-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid
CID 44565791
2-[1-[2-[(1,4-Dimethylpyrazol-5-yl)methyl]-4-fluorophenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225800
US10214537, Example 13
CID 132210105
US10030027, Example 22A
CID 129242619
US10030027, Example 114A
CID 129242650
US10030027, Example 17AB
CID 129242745
US10030027, Example 11B
CID 129242960
US10030027, Example 21B
CID 129242977
US10030027, Example 148A
CID 129242994
US10030027, Example 7A
CID 129243249
US10030027, Example 15B
CID 129243323

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid?
The IUPAC name of 4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid (CID 146209552) is 4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid.
What is the SMILES notation for 4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid?
The canonical SMILES for 4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid is CC(CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(N)c2n1)C(=O)O.
What is the InChIKey of 4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid?
The InChIKey is IDDUADSQLGOFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-12(20(28)29)4-5-16-14(9-13(21)10-23-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(22)11-24-27/h6,8-12,17H,2-5,7,22H2,1H3,(H,28,29).
What are the key properties of 4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid?
4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid has a molecular weight of 398.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-fluoro-2-pyridinyl]-2-methylbutanoic acid is sourced from PubChem (CID 146209552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).