2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide

C22H18ClN5O2 — CID 141255098

IUPAC2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide
SMILESO=C(NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1)C(Cl)c1ccccc1
InChIInChI=1S/C22H18ClN5O2/c23-20(16-5-2-1-3-6-16)21(29)26-12-15-8-10-25-19(11-15)28-22(30)18(14-27-28)17-7-4-9-24-13-17/h1-11,13-14,20,27H,12H2,(H,26,29)
InChIKeyLAPFSWSXEOGUNH-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.22
Rot. Bonds6

About 2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide

2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide (PubChem CID 141255098) has the molecular formula C22H18ClN5O2 and a molecular weight of 419.87 g/mol. Its IUPAC name is 2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide
PubChem CID141255098
Molecular FormulaC22H18ClN5O2
Molecular Weight419.87 g/mol
Exact Mass419.11
IUPAC Name2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide
SMILESO=C(NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1)C(Cl)c1ccccc1
InChIInChI=1S/C22H18ClN5O2/c23-20(16-5-2-1-3-6-16)21(29)26-12-15-8-10-25-19(11-15)28-22(30)18(14-27-28)17-7-4-9-24-13-17/h1-11,13-14,20,27H,12H2,(H,26,29)
InChIKeyLAPFSWSXEOGUNH-UHFFFAOYSA-N
XLogP3.22
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide
CID 59186984
N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride
CID 68706385
1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea
CID 59280187
2-[4-[(cyclohexylmethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one
CID 24897730
3-(4-chloro-3,4-dihydropyrazol-2-yl)-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]propanamide
CID 89307370
ethyl 4-(methylamino)butanoate;N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]formamide
CID 143687190
2-[4-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one;2,2,2-trifluoroacetic acid
CID 68717571
2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one
CID 70303587
2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 25073750
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 24794806
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide
CID 62995149
4-pyridin-3-yl-2-[5-(pyrrol-1-ylmethyl)-2-pyridinyl]-1H-pyrazol-3-one;hydrochloride
CID 68716849

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide (CID 141255098) is 2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide is O=C(NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide?
The InChIKey is LAPFSWSXEOGUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O2/c23-20(16-5-2-1-3-6-16)21(29)26-12-15-8-10-25-19(11-15)28-22(30)18(14-27-28)17-7-4-9-24-13-17/h1-11,13-14,20,27H,12H2,(H,26,29).
What are the key properties of 2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide?
2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide has a molecular weight of 419.87 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 141255098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).