1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea

C18H26N6O — CID 122138801

IUPAC1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea
SMILESCc1ccc(NC(=O)N(C)C2CCN(CCn3cccn3)CC2)nc1
InChIInChI=1S/C18H26N6O/c1-15-4-5-17(19-14-15)21-18(25)22(2)16-6-10-23(11-7-16)12-13-24-9-3-8-20-24/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,19,21,25)
InChIKeyYCGSIVWMPULNNZ-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.21
Rot. Bonds5

About 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea

1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea (PubChem CID 122138801) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea
PubChem CID122138801
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea
SMILESCc1ccc(NC(=O)N(C)C2CCN(CCn3cccn3)CC2)nc1
InChIInChI=1S/C18H26N6O/c1-15-4-5-17(19-14-15)21-18(25)22(2)16-6-10-23(11-7-16)12-13-24-9-3-8-20-24/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,19,21,25)
InChIKeyYCGSIVWMPULNNZ-UHFFFAOYSA-N
XLogP2.21
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-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-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea?
The IUPAC name of 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea (CID 122138801) is 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea is Cc1ccc(NC(=O)N(C)C2CCN(CCn3cccn3)CC2)nc1.
What is the InChIKey of 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea?
The InChIKey is YCGSIVWMPULNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-15-4-5-17(19-14-15)21-18(25)22(2)16-6-10-23(11-7-16)12-13-24-9-3-8-20-24/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,19,21,25).
What are the key properties of 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea?
1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea has a molecular weight of 342.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 122138801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).