2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide

C20H20FN5O — CID 92603570

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1C=CCC1)c1nc2cc(-c3ccccc3F)ncn2n1
InChIInChI=1S/C20H20FN5O/c1-13(23-19(27)10-14-6-2-3-7-14)20-24-18-11-17(22-12-26(18)25-20)15-8-4-5-9-16(15)21/h2,4-6,8-9,11-14H,3,7,10H2,1H3,(H,23,27)/t13-,14-/m0/s1
InChIKeyPIZAYMDJQVEMNY-KBPBESRZSA-N
MW365.41 g/mol
LogP3.46
Rot. Bonds5

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide (PubChem CID 92603570) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide
PubChem CID92603570
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1C=CCC1)c1nc2cc(-c3ccccc3F)ncn2n1
InChIInChI=1S/C20H20FN5O/c1-13(23-19(27)10-14-6-2-3-7-14)20-24-18-11-17(22-12-26(18)25-20)15-8-4-5-9-16(15)21/h2,4-6,8-9,11-14H,3,7,10H2,1H3,(H,23,27)/t13-,14-/m0/s1
InChIKeyPIZAYMDJQVEMNY-KBPBESRZSA-N
XLogP3.46
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide (CID 92603570) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide is C[C@H](NC(=O)C[C@H]1C=CCC1)c1nc2cc(-c3ccccc3F)ncn2n1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide?
The InChIKey is PIZAYMDJQVEMNY-KBPBESRZSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-13(23-19(27)10-14-6-2-3-7-14)20-24-18-11-17(22-12-26(18)25-20)15-8-4-5-9-16(15)21/h2,4-6,8-9,11-14H,3,7,10H2,1H3,(H,23,27)/t13-,14-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide has a molecular weight of 365.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 92603570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).