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

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Related Compounds

Crt 0066101
CID 136189563
CRT0066101 Dihydrochloride
CID 136664697
(S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydroxypropylamino)-2-(pyridin-3-yl)pyrimidin-4-yl)-1H-pyrazol-1-yl)acetonitrile
CID 44517769
[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-hydroxypyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138079
3-(1-Methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol
CID 46205037
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
3-(6-(1H-indazol-5-ylamino)-2-morpholinopyrimidin-4-yl)phenol
CID 10475366
3-[7-(2-Methyl-pyridin-4-yl)-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-phenol
CID 24889090
3-[7-(1-Methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-phenol
CID 24889091
3-(7-(8-Azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 44225587
3-(2-Morpholino-6-(2-(pyridin-4-yl)ethylamino)pyrimidin-4-yl)phenol
CID 51346892

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).