1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol

C20H19FN6O — CID 67014742

IUPAC1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nccc(-c2cc3cn(C)nc3nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN6O/c1-12(28)10-23-20-22-8-7-17(24-20)16-9-14-11-27(2)26-19(14)25-18(16)13-3-5-15(21)6-4-13/h3-9,11-12,28H,10H2,1-2H3,(H,22,23,24)
InChIKeyZUNRQOUWOCJVNO-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.02
Rot. Bonds5

About 1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol

1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol (PubChem CID 67014742) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol
PubChem CID67014742
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nccc(-c2cc3cn(C)nc3nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN6O/c1-12(28)10-23-20-22-8-7-17(24-20)16-9-14-11-27(2)26-19(14)25-18(16)13-3-5-15(21)6-4-13/h3-9,11-12,28H,10H2,1-2H3,(H,22,23,24)
InChIKeyZUNRQOUWOCJVNO-UHFFFAOYSA-N
XLogP3.02
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
CID 90465127
2-[3-(3-fluoro-5-hydroxyphenyl)-4-[2-(2-hydroxypropylamino)pyrimidin-4-yl]pyrazol-1-yl]acetonitrile
CID 68835357
(2S)-1-[[4-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 143753883
(2S)-1-[[4-[3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 25181608
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide
CID 90465258
[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824534
3-[5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]propan-1-ol
CID 67014797
1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
CID 62958560
N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine
CID 10273984
4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine
CID 67073877
(2S)-1-[[4-[3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol;(2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 160791403
(2S)-1-[[4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 162683266

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol (CID 67014742) is 1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol is CC(O)CNc1nccc(-c2cc3cn(C)nc3nc2-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol?
The InChIKey is ZUNRQOUWOCJVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-12(28)10-23-20-22-8-7-17(24-20)16-9-14-11-27(2)26-19(14)25-18(16)13-3-5-15(21)6-4-13/h3-9,11-12,28H,10H2,1-2H3,(H,22,23,24).
What are the key properties of 1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol?
1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol has a molecular weight of 378.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[6-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 67014742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).