1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C21H32N6O — CID 86999039

IUPAC1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCc1cc(C)n(-c2ccc(CNC(=O)NC3CC(C)(C)NC(C)(C)C3)cn2)n1
InChIInChI=1S/C21H32N6O/c1-14-9-15(2)27(25-14)18-8-7-16(12-22-18)13-23-19(28)24-17-10-20(3,4)26-21(5,6)11-17/h7-9,12,17,26H,10-11,13H2,1-6H3,(H2,23,24,28)
InChIKeyWJWXYUICHOWTTK-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.99
Rot. Bonds4

About 1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 86999039) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID86999039
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCc1cc(C)n(-c2ccc(CNC(=O)NC3CC(C)(C)NC(C)(C)C3)cn2)n1
InChIInChI=1S/C21H32N6O/c1-14-9-15(2)27(25-14)18-8-7-16(12-22-18)13-23-19(28)24-17-10-20(3,4)26-21(5,6)11-17/h7-9,12,17,26H,10-11,13H2,1-6H3,(H2,23,24,28)
InChIKeyWJWXYUICHOWTTK-UHFFFAOYSA-N
XLogP2.99
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-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-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 86999039) is 1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is Cc1cc(C)n(-c2ccc(CNC(=O)NC3CC(C)(C)NC(C)(C)C3)cn2)n1.
What is the InChIKey of 1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is WJWXYUICHOWTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-14-9-15(2)27(25-14)18-8-7-16(12-22-18)13-23-19(28)24-17-10-20(3,4)26-21(5,6)11-17/h7-9,12,17,26H,10-11,13H2,1-6H3,(H2,23,24,28).
What are the key properties of 1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 384.53 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 86999039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).