3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol

C23H24N6O2 — CID 118706553

IUPAC3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol
SMILESCc1cc(O)cc(-c2c(-c3cc(NC[C@H](C)O)nc(-c4cccnc4)n3)cnn2C)c1
InChIInChI=1S/C23H24N6O2/c1-14-7-17(9-18(31)8-14)22-19(13-26-29(22)3)20-10-21(25-11-15(2)30)28-23(27-20)16-5-4-6-24-12-16/h4-10,12-13,15,30-31H,11H2,1-3H3,(H,25,27,28)/t15-/m0/s1
InChIKeyLDSOHXSUSOKKCL-HNNXBMFYSA-N
MW416.49 g/mol
LogP3.41
Rot. Bonds6

About 3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol

3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol (PubChem CID 118706553) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol.

Molecular Properties

Compound Name3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol
PubChem CID118706553
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol
SMILESCc1cc(O)cc(-c2c(-c3cc(NC[C@H](C)O)nc(-c4cccnc4)n3)cnn2C)c1
InChIInChI=1S/C23H24N6O2/c1-14-7-17(9-18(31)8-14)22-19(13-26-29(22)3)20-10-21(25-11-15(2)30)28-23(27-20)16-5-4-6-24-12-16/h4-10,12-13,15,30-31H,11H2,1-3H3,(H,25,27,28)/t15-/m0/s1
InChIKeyLDSOHXSUSOKKCL-HNNXBMFYSA-N
XLogP3.41
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol 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 3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol?
The IUPAC name of 3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol (CID 118706553) is 3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol.
What is the SMILES notation for 3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol?
The canonical SMILES for 3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol is Cc1cc(O)cc(-c2c(-c3cc(NC[C@H](C)O)nc(-c4cccnc4)n3)cnn2C)c1.
What is the InChIKey of 3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol?
The InChIKey is LDSOHXSUSOKKCL-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14-7-17(9-18(31)8-14)22-19(13-26-29(22)3)20-10-21(25-11-15(2)30)28-23(27-20)16-5-4-6-24-12-16/h4-10,12-13,15,30-31H,11H2,1-3H3,(H,25,27,28)/t15-/m0/s1.
What are the key properties of 3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol?
3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol has a molecular weight of 416.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylpyrimidin-4-yl]-1-methylpyrazol-5-yl]-5-methylphenol is sourced from PubChem (CID 118706553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).