2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol

C19H23FN6O — CID 25016061

IUPAC2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2[nH]nc3ncc(F)cc23)nc(C2CCCCC2)n1
InChIInChI=1S/C19H23FN6O/c1-19(2,27)14-9-15(23-16(22-14)11-6-4-3-5-7-11)24-18-13-8-12(20)10-21-17(13)25-26-18/h8-11,27H,3-7H2,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyQOWGEVKZOPOWLW-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.91
Rot. Bonds4

About 2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol

2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol (PubChem CID 25016061) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol
PubChem CID25016061
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2[nH]nc3ncc(F)cc23)nc(C2CCCCC2)n1
InChIInChI=1S/C19H23FN6O/c1-19(2,27)14-9-15(23-16(22-14)11-6-4-3-5-7-11)24-18-13-8-12(20)10-21-17(13)25-26-18/h8-11,27H,3-7H2,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyQOWGEVKZOPOWLW-UHFFFAOYSA-N
XLogP3.91
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol?
The IUPAC name of 2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol (CID 25016061) is 2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol is CC(C)(O)c1cc(Nc2[nH]nc3ncc(F)cc23)nc(C2CCCCC2)n1.
What is the InChIKey of 2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol?
The InChIKey is QOWGEVKZOPOWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-19(2,27)14-9-15(23-16(22-14)11-6-4-3-5-7-11)24-18-13-8-12(20)10-21-17(13)25-26-18/h8-11,27H,3-7H2,1-2H3,(H2,21,22,23,24,25,26).
What are the key properties of 2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol?
2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol has a molecular weight of 370.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyl-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]propan-2-ol is sourced from PubChem (CID 25016061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).