2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide

C18H19N5O — CID 94822508

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESO=C(C[C@H]1C=CCC1)Nc1cnn(Cc2cn3ccccc3n2)c1
InChIInChI=1S/C18H19N5O/c24-18(9-14-5-1-2-6-14)21-15-10-19-23(12-15)13-16-11-22-8-4-3-7-17(22)20-16/h1,3-5,7-8,10-12,14H,2,6,9,13H2,(H,21,24)/t14-/m0/s1
InChIKeyYGQJZPZAHWHPKP-AWEZNQCLSA-N
MW321.38 g/mol
LogP2.87
Rot. Bonds5

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 94822508) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID94822508
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESO=C(C[C@H]1C=CCC1)Nc1cnn(Cc2cn3ccccc3n2)c1
InChIInChI=1S/C18H19N5O/c24-18(9-14-5-1-2-6-14)21-15-10-19-23(12-15)13-16-11-22-8-4-3-7-17(22)20-16/h1,3-5,7-8,10-12,14H,2,6,9,13H2,(H,21,24)/t14-/m0/s1
InChIKeyYGQJZPZAHWHPKP-AWEZNQCLSA-N
XLogP2.87
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.87
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-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide (CID 94822508) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide is O=C(C[C@H]1C=CCC1)Nc1cnn(Cc2cn3ccccc3n2)c1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is YGQJZPZAHWHPKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(9-14-5-1-2-6-14)21-15-10-19-23(12-15)13-16-11-22-8-4-3-7-17(22)20-16/h1,3-5,7-8,10-12,14H,2,6,9,13H2,(H,21,24)/t14-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.87, 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-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 94822508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).