N,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide

C22H23N5O2 — CID 142553547

IUPACN,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1cc(-c2ccc(OC3=CCN(C)c4ccncc43)cc2)cn1
InChIInChI=1S/C22H23N5O2/c1-25(2)22(28)15-27-14-17(12-24-27)16-4-6-18(7-5-16)29-21-9-11-26(3)20-8-10-23-13-19(20)21/h4-10,12-14H,11,15H2,1-3H3
InChIKeyFQFHDBFMIUMFCW-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.90
Rot. Bonds5

About N,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide

N,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide (PubChem CID 142553547) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide
PubChem CID142553547
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1cc(-c2ccc(OC3=CCN(C)c4ccncc43)cc2)cn1
InChIInChI=1S/C22H23N5O2/c1-25(2)22(28)15-27-14-17(12-24-27)16-4-6-18(7-5-16)29-21-9-11-26(3)20-8-10-23-13-19(20)21/h4-10,12-14H,11,15H2,1-3H3
InChIKeyFQFHDBFMIUMFCW-UHFFFAOYSA-N
XLogP2.90
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[7-fluoro-6-(1-methyl-1,2,4-triazol-3-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 171633517
N,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide
CID 171633555
4-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-2-fluoro-5-methylbenzoic acid
CID 171906135
2-[4-[4-[7-fluoro-6-(2-methyltetrazol-5-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 171633496
2-(difluoromethoxy)-4-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzoic acid
CID 171382939
2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 171919853
2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 59492627
3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid
CID 66474868
2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 175670012
2-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-4-fluoro-5-methylbenzoic acid
CID 172914566
2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 175670326
2-[4-(4-amino-2-cyanophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 171663223

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide (CID 142553547) is N,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide is CN(C)C(=O)Cn1cc(-c2ccc(OC3=CCN(C)c4ccncc43)cc2)cn1.
What is the InChIKey of N,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide?
The InChIKey is FQFHDBFMIUMFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-25(2)22(28)15-27-14-17(12-24-27)16-4-6-18(7-5-16)29-21-9-11-26(3)20-8-10-23-13-19(20)21/h4-10,12-14H,11,15H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide?
N,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[4-[(1-methyl-2H-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 142553547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).