5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C19H20FN5O2 — CID 86691735

IUPAC5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESNCCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C=O)c2n1
InChIInChI=1S/C19H20FN5O2/c20-14-3-4-17(27-9-6-21)15(10-14)16-2-1-7-24(16)18-5-8-25-19(23-18)13(12-26)11-22-25/h3-5,8,10-12,16H,1-2,6-7,9,21H2/t16-/m1/s1
InChIKeyBMYJEFXPGLCOTQ-MRXNPFEDSA-N
MW369.40 g/mol
LogP2.36
Rot. Bonds6

About 5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 86691735) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID86691735
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESNCCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C=O)c2n1
InChIInChI=1S/C19H20FN5O2/c20-14-3-4-17(27-9-6-21)15(10-14)16-2-1-7-24(16)18-5-8-25-19(23-18)13(12-26)11-22-25/h3-5,8,10-12,16H,1-2,6-7,9,21H2/t16-/m1/s1
InChIKeyBMYJEFXPGLCOTQ-MRXNPFEDSA-N
XLogP2.36
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 86691735) is 5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is NCCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C=O)c2n1.
What is the InChIKey of 5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is BMYJEFXPGLCOTQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20FN5O2/c20-14-3-4-17(27-9-6-21)15(10-14)16-2-1-7-24(16)18-5-8-25-19(23-18)13(12-26)11-22-25/h3-5,8,10-12,16H,1-2,6-7,9,21H2/t16-/m1/s1.
What are the key properties of 5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 369.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[2-(2-aminoethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 86691735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).