1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

C18H26N6O — CID 53499653

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESCn1cc(CCNC(=O)NC2CCN(Cc3ccccn3)CC2)cn1
InChIInChI=1S/C18H26N6O/c1-23-13-15(12-21-23)5-9-20-18(25)22-16-6-10-24(11-7-16)14-17-4-2-3-8-19-17/h2-4,8,12-13,16H,5-7,9-11,14H2,1H3,(H2,20,22,25)
InChIKeyPUFIWKIIQQLFGI-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.32
Rot. Bonds6

About 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (PubChem CID 53499653) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
PubChem CID53499653
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESCn1cc(CCNC(=O)NC2CCN(Cc3ccccn3)CC2)cn1
InChIInChI=1S/C18H26N6O/c1-23-13-15(12-21-23)5-9-20-18(25)22-16-6-10-24(11-7-16)14-17-4-2-3-8-19-17/h2-4,8,12-13,16H,5-7,9-11,14H2,1H3,(H2,20,22,25)
InChIKeyPUFIWKIIQQLFGI-UHFFFAOYSA-N
XLogP1.32
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)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-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (CID 53499653) is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is Cn1cc(CCNC(=O)NC2CCN(Cc3ccccn3)CC2)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The InChIKey is PUFIWKIIQQLFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-23-13-15(12-21-23)5-9-20-18(25)22-16-6-10-24(11-7-16)14-17-4-2-3-8-19-17/h2-4,8,12-13,16H,5-7,9-11,14H2,1H3,(H2,20,22,25).
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea has a molecular weight of 342.45 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 53499653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).