1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

C17H24N6O2 — CID 118741366

IUPAC1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2nccc2-c2cnc(N(C)CCO)nc2)CC1
InChIInChI=1S/C17H24N6O2/c1-13(25)22-7-4-15(5-8-22)23-16(3-6-20-23)14-11-18-17(19-12-14)21(2)9-10-24/h3,6,11-12,15,24H,4-5,7-10H2,1-2H3
InChIKeyHUXGICVWZZMUHJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.95
Rot. Bonds5

About 1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 118741366) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID118741366
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2nccc2-c2cnc(N(C)CCO)nc2)CC1
InChIInChI=1S/C17H24N6O2/c1-13(25)22-7-4-15(5-8-22)23-16(3-6-20-23)14-11-18-17(19-12-14)21(2)9-10-24/h3,6,11-12,15,24H,4-5,7-10H2,1-2H3
InChIKeyHUXGICVWZZMUHJ-UHFFFAOYSA-N
XLogP0.95
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone 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-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 118741366) is 1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2nccc2-c2cnc(N(C)CCO)nc2)CC1.
What is the InChIKey of 1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is HUXGICVWZZMUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13(25)22-7-4-15(5-8-22)23-16(3-6-20-23)14-11-18-17(19-12-14)21(2)9-10-24/h3,6,11-12,15,24H,4-5,7-10H2,1-2H3.
What are the key properties of 1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 344.42 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118741366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).