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

C19H21FN6O2 — CID 155675991

IUPAC5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESC[C@@H](N)CCc1ncc(F)cc1C1(Nc2ccn3ncc(C(=O)O)c3n2)CC1
InChIInChI=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
InChIKeyUMZVSSDQKFZZAW-LLVKDONJSA-N
MW384.42 g/mol
LogP2.34
Rot. Bonds7

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 Name5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID155675991
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name5-[[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESC[C@@H](N)CCc1ncc(F)cc1C1(Nc2ccn3ncc(C(=O)O)c3n2)CC1
InChIInChI=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
InChIKeyUMZVSSDQKFZZAW-LLVKDONJSA-N
XLogP2.34
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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).