N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide

C26H24Cl2N6O6 — CID 130457716

IUPACN-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(=O)[nH]n3-c3ccc(OC)cc3)c(Cl)c2Cl)ccn1
InChIInChI=1S/C26H24Cl2N6O6/c1-38-14-23(36)31-20-11-15(9-10-29-20)13-40-19-8-7-18(24(27)25(19)28)30-26(37)32-21-12-22(35)33-34(21)16-3-5-17(39-2)6-4-16/h3-12H,13-14H2,1-2H3,(H,33,35)(H,29,31,36)(H2,30,32,37)
InChIKeyNPXHMVGVVGDGLK-UHFFFAOYSA-N
MW587.42 g/mol
LogP4.68
Rot. Bonds10

About N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide

N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide (PubChem CID 130457716) has the molecular formula C26H24Cl2N6O6 and a molecular weight of 587.42 g/mol. Its IUPAC name is N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide
PubChem CID130457716
Molecular FormulaC26H24Cl2N6O6
Molecular Weight587.42 g/mol
Exact Mass586.11
IUPAC NameN-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(=O)[nH]n3-c3ccc(OC)cc3)c(Cl)c2Cl)ccn1
InChIInChI=1S/C26H24Cl2N6O6/c1-38-14-23(36)31-20-11-15(9-10-29-20)13-40-19-8-7-18(24(27)25(19)28)30-26(37)32-21-12-22(35)33-34(21)16-3-5-17(39-2)6-4-16/h3-12H,13-14H2,1-2H3,(H,33,35)(H,29,31,36)(H2,30,32,37)
InChIKeyNPXHMVGVVGDGLK-UHFFFAOYSA-N
XLogP4.68
TPSA148.60 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.42
LogP ≤ 54.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide with MolForge

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Related Compounds

1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-[2,3-dichloro-4-[[2-(methylcarbamoylamino)-4-pyridinyl]methoxy]phenyl]urea
CID 53472645
N-[4-[[4-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxyacetamide
CID 54589019
N-[4-[[5-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoylamino]quinolin-8-yl]oxymethyl]-2-pyridinyl]-2-methoxyacetamide;deuterio(iodo)methane
CID 161257863
1-[4-[[2-[(6-ethylpyrazin-2-yl)amino]-4-pyridinyl]methoxy]naphthalen-1-yl]-3-[2-(4-methylphenyl)-5-oxo-1H-pyrazol-3-yl]urea
CID 129303982
N-[4-[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-2,3-dichlorophenoxy]-2-pyridinyl]-2-methoxyacetamide
CID 130457724
N-[4-[4-[[3-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoylamino]-2,3-dichlorophenoxy]-2-pyridinyl]-2-(dimethylamino)acetamide
CID 130457655
N-[4-[4-[[3-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoylamino]-2,3-dichlorophenoxy]-2-pyridinyl]-2-morpholin-4-ylacetamide
CID 130457725
N-[4-(hydroxymethyl)-2-pyridinyl]-2-methoxyacetamide
CID 82343554
1-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-[2,3-dichloro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
CID 54766496
2-methoxy-N-[4-[(5-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]acetamide
CID 71242788
1-[4-[(2-amino-4-pyridinyl)methoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]urea
CID 163654484
2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide
CID 71260881

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide (CID 130457716) is N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide is COCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(=O)[nH]n3-c3ccc(OC)cc3)c(Cl)c2Cl)ccn1.
What is the InChIKey of N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide?
The InChIKey is NPXHMVGVVGDGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N6O6/c1-38-14-23(36)31-20-11-15(9-10-29-20)13-40-19-8-7-18(24(27)25(19)28)30-26(37)32-21-12-22(35)33-34(21)16-3-5-17(39-2)6-4-16/h3-12H,13-14H2,1-2H3,(H,33,35)(H,29,31,36)(H2,30,32,37).
What are the key properties of N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide?
N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide has a molecular weight of 587.42 g/mol, XLogP of 4.68, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 130457716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).