1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea

C20H22N6O3S — CID 24817623

IUPAC1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C20H22N6O3S/c1-29-17-5-3-2-4-15(17)23-20(28)24-18-6-9-22-26(18)14-7-10-25(11-8-14)19(27)16-12-30-13-21-16/h2-6,9,12-14H,7-8,10-11H2,1H3,(H2,23,24,28)
InChIKeyCDDZVZGXEYJPMC-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.47
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea

1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 24817623) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID24817623
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC Name1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C20H22N6O3S/c1-29-17-5-3-2-4-15(17)23-20(28)24-18-6-9-22-26(18)14-7-10-25(11-8-14)19(27)16-12-30-13-21-16/h2-6,9,12-14H,7-8,10-11H2,1H3,(H2,23,24,28)
InChIKeyCDDZVZGXEYJPMC-UHFFFAOYSA-N
XLogP3.47
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea (CID 24817623) is 1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea is COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2cscn2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is CDDZVZGXEYJPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-29-17-5-3-2-4-15(17)23-20(28)24-18-6-9-22-26(18)14-7-10-25(11-8-14)19(27)16-12-30-13-21-16/h2-6,9,12-14H,7-8,10-11H2,1H3,(H2,23,24,28).
What are the key properties of 1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 426.50 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 24817623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).