3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide

C16H17ClN4O3 — CID 142710470

IUPAC3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide
SMILESCOc1ccc(N2CCc3c(NC(=O)CCCl)n[nH]c3C2=O)cc1
InChIInChI=1S/C16H17ClN4O3/c1-24-11-4-2-10(3-5-11)21-9-7-12-14(16(21)23)19-20-15(12)18-13(22)6-8-17/h2-5H,6-9H2,1H3,(H2,18,19,20,22)
InChIKeyHLLZJRCIOVISJG-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.19
Rot. Bonds5

About 3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide

3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide (PubChem CID 142710470) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide
PubChem CID142710470
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide
SMILESCOc1ccc(N2CCc3c(NC(=O)CCCl)n[nH]c3C2=O)cc1
InChIInChI=1S/C16H17ClN4O3/c1-24-11-4-2-10(3-5-11)21-9-7-12-14(16(21)23)19-20-15(12)18-13(22)6-8-17/h2-5H,6-9H2,1H3,(H2,18,19,20,22)
InChIKeyHLLZJRCIOVISJG-UHFFFAOYSA-N
XLogP2.19
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide
CID 54755986
N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 54756341
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide
CID 54755987
3-(dihydroxymethylidene)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 86326055
N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59174000
5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide
CID 24998042
N-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide
CID 71813682
N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide
CID 130216242
4-methoxy-N-[7-oxo-6-(piperidin-4-ylmethyl)-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide
CID 71814156
4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one
CID 10517527
6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-(5-bromopentanoylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-(5-chloropentanoylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 158547192
5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one
CID 10732167

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide?
The IUPAC name of 3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide (CID 142710470) is 3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide.
What is the SMILES notation for 3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide?
The canonical SMILES for 3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide is COc1ccc(N2CCc3c(NC(=O)CCCl)n[nH]c3C2=O)cc1.
What is the InChIKey of 3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide?
The InChIKey is HLLZJRCIOVISJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-24-11-4-2-10(3-5-11)21-9-7-12-14(16(21)23)19-20-15(12)18-13(22)6-8-17/h2-5H,6-9H2,1H3,(H2,18,19,20,22).
What are the key properties of 3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide?
3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide has a molecular weight of 348.79 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide is sourced from PubChem (CID 142710470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).