N-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide

C22H19ClN4O3 — CID 58496352

IUPACN-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2c(-c3cccc(Cl)c3)c3c(=O)n(C)[nH]c3cc2=O)c1
InChIInChI=1S/C22H19ClN4O3/c1-13(28)24-17-8-3-5-14(9-17)12-27-19(29)11-18-20(22(30)26(2)25-18)21(27)15-6-4-7-16(23)10-15/h3-11,25H,12H2,1-2H3,(H,24,28)
InChIKeyXCVGEPAWPWANGP-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.36
Rot. Bonds4

About N-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide

N-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide (PubChem CID 58496352) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is N-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide
PubChem CID58496352
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC NameN-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2c(-c3cccc(Cl)c3)c3c(=O)n(C)[nH]c3cc2=O)c1
InChIInChI=1S/C22H19ClN4O3/c1-13(28)24-17-8-3-5-14(9-17)12-27-19(29)11-18-20(22(30)26(2)25-18)21(27)15-6-4-7-16(23)10-15/h3-11,25H,12H2,1-2H3,(H,24,28)
InChIKeyXCVGEPAWPWANGP-UHFFFAOYSA-N
XLogP3.36
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174401014
N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide
CID 19805432
N-[3-[[3,6-dioxo-2-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide
CID 58358038
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
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1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea
CID 16747560
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71557497
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide
CID 75390996
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697563
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide (CID 58496352) is N-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide is CC(=O)Nc1cccc(Cn2c(-c3cccc(Cl)c3)c3c(=O)n(C)[nH]c3cc2=O)c1.
What is the InChIKey of N-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide?
The InChIKey is XCVGEPAWPWANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-13(28)24-17-8-3-5-14(9-17)12-27-19(29)11-18-20(22(30)26(2)25-18)21(27)15-6-4-7-16(23)10-15/h3-11,25H,12H2,1-2H3,(H,24,28).
What are the key properties of N-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide?
N-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide has a molecular weight of 422.87 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(3-chlorophenyl)-2-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 58496352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).