1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea

C17H24N6O — CID 51084784

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
SMILESCn1cc(CCNC(=O)Nc2ccc(N3CCCCC3)nc2)cn1
InChIInChI=1S/C17H24N6O/c1-22-13-14(11-20-22)7-8-18-17(24)21-15-5-6-16(19-12-15)23-9-3-2-4-10-23/h5-6,11-13H,2-4,7-10H2,1H3,(H2,18,21,24)
InChIKeyKLFZCKQHRVRNEJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.17
Rot. Bonds5

About 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea (PubChem CID 51084784) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
PubChem CID51084784
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
SMILESCn1cc(CCNC(=O)Nc2ccc(N3CCCCC3)nc2)cn1
InChIInChI=1S/C17H24N6O/c1-22-13-14(11-20-22)7-8-18-17(24)21-15-5-6-16(19-12-15)23-9-3-2-4-10-23/h5-6,11-13H,2-4,7-10H2,1H3,(H2,18,21,24)
InChIKeyKLFZCKQHRVRNEJ-UHFFFAOYSA-N
XLogP2.17
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)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-(6-piperidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea (CID 51084784) is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea is Cn1cc(CCNC(=O)Nc2ccc(N3CCCCC3)nc2)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
The InChIKey is KLFZCKQHRVRNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-22-13-14(11-20-22)7-8-18-17(24)21-15-5-6-16(19-12-15)23-9-3-2-4-10-23/h5-6,11-13H,2-4,7-10H2,1H3,(H2,18,21,24).
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea has a molecular weight of 328.42 g/mol, XLogP of 2.17, 5 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-(6-piperidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 51084784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).