1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea

C23H22N6O4 — CID 59280187

IUPAC1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea
SMILESCOc1ccc(OC)c(NC(=O)NCc2ccnc(-n3[nH]cc(-c4cccnc4)c3=O)c2)c1
InChIInChI=1S/C23H22N6O4/c1-32-17-5-6-20(33-2)19(11-17)28-23(31)26-12-15-7-9-25-21(10-15)29-22(30)18(14-27-29)16-4-3-8-24-13-16/h3-11,13-14,27H,12H2,1-2H3,(H2,26,28,31)
InChIKeyPWPLHJRVWUNGNY-UHFFFAOYSA-N
MW446.47 g/mol
LogP2.96
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea

1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea (PubChem CID 59280187) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea
PubChem CID59280187
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea
SMILESCOc1ccc(OC)c(NC(=O)NCc2ccnc(-n3[nH]cc(-c4cccnc4)c3=O)c2)c1
InChIInChI=1S/C23H22N6O4/c1-32-17-5-6-20(33-2)19(11-17)28-23(31)26-12-15-7-9-25-21(10-15)29-22(30)18(14-27-29)16-4-3-8-24-13-16/h3-11,13-14,27H,12H2,1-2H3,(H2,26,28,31)
InChIKeyPWPLHJRVWUNGNY-UHFFFAOYSA-N
XLogP2.96
TPSA123.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide
CID 59186984
2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide
CID 141255098
N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride
CID 68706385
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
1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386711
1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886018
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
1-(5-chloro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2,5-dimethoxyphenyl)urea
CID 46386755
1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 47326377
1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
CID 50830288
1-(5-chloro-2-methoxyphenyl)-3-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]urea
CID 121049745
4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 60543450

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea (CID 59280187) is 1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea is COc1ccc(OC)c(NC(=O)NCc2ccnc(-n3[nH]cc(-c4cccnc4)c3=O)c2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea?
The InChIKey is PWPLHJRVWUNGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-32-17-5-6-20(33-2)19(11-17)28-23(31)26-12-15-7-9-25-21(10-15)29-22(30)18(14-27-29)16-4-3-8-24-13-16/h3-11,13-14,27H,12H2,1-2H3,(H2,26,28,31).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea?
1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea has a molecular weight of 446.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea is sourced from PubChem (CID 59280187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).