5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol

C29H25FN6O — CID 143857937

IUPAC5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
SMILESCc1cc(N2CC3CC2CN3)ccc1-c1ccnc2c(-c3ccc(F)c(O)c3)c(-c3ccncc3)nn12
InChIInChI=1S/C29H25FN6O/c1-17-12-21(35-16-20-14-22(35)15-33-20)3-4-23(17)25-8-11-32-29-27(19-2-5-24(30)26(37)13-19)28(34-36(25)29)18-6-9-31-10-7-18/h2-13,20,22,33,37H,14-16H2,1H3
InChIKeyNQHOSBUGNYOQFK-UHFFFAOYSA-N
MW492.56 g/mol
LogP4.83
Rot. Bonds4

About 5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol

5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol (PubChem CID 143857937) has the molecular formula C29H25FN6O and a molecular weight of 492.56 g/mol. Its IUPAC name is 5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
PubChem CID143857937
Molecular FormulaC29H25FN6O
Molecular Weight492.56 g/mol
Exact Mass492.21
IUPAC Name5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
SMILESCc1cc(N2CC3CC2CN3)ccc1-c1ccnc2c(-c3ccc(F)c(O)c3)c(-c3ccncc3)nn12
InChIInChI=1S/C29H25FN6O/c1-17-12-21(35-16-20-14-22(35)15-33-20)3-4-23(17)25-8-11-32-29-27(19-2-5-24(30)26(37)13-19)28(34-36(25)29)18-6-9-31-10-7-18/h2-13,20,22,33,37H,14-16H2,1H3
InChIKeyNQHOSBUGNYOQFK-UHFFFAOYSA-N
XLogP4.83
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol with MolForge

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Related Compounds

3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino)-5-(2-isopropyl-2H-tetrazol-5-yl)phenol
CID 118009188
3-(3-Hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44226447
2-Chloro-5-{7-[4-(8-methyl-3,8-diaza-bicyclo[3.2.1]oct-3-yl)-phenyl]-2-pyridin-4-yl-pyrazolo[1,5-a]pyrimidin-3-yl}-phenol
CID 44226449
3-[7-[2-chloro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46198375
5-(7-(4-((1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
CID 46879449
1-((1S,4S)-5-(4-(3-(4-fluoro-3-hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone
CID 46879450
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879452
3-(4-fluoro-3-methoxyphenyl)-7-(2-methyl-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879520
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880076
3-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880102
3-[7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880103

Frequently Asked Questions

What is the IUPAC name of 5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol?
The IUPAC name of 5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol (CID 143857937) is 5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol.
What is the SMILES notation for 5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol?
The canonical SMILES for 5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol is Cc1cc(N2CC3CC2CN3)ccc1-c1ccnc2c(-c3ccc(F)c(O)c3)c(-c3ccncc3)nn12.
What is the InChIKey of 5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol?
The InChIKey is NQHOSBUGNYOQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN6O/c1-17-12-21(35-16-20-14-22(35)15-33-20)3-4-23(17)25-8-11-32-29-27(19-2-5-24(30)26(37)13-19)28(34-36(25)29)18-6-9-31-10-7-18/h2-13,20,22,33,37H,14-16H2,1H3.
What are the key properties of 5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol?
5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol has a molecular weight of 492.56 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol is sourced from PubChem (CID 143857937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).