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

C29H26N6O — CID 75223815

IUPAC3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESCc1cc(N2CC3CC2CN3)ccc1-c1ccnc2c(-c3cccc(O)c3)c(-c3ccncc3)nn12
InChIInChI=1S/C29H26N6O/c1-18-13-22(34-17-21-15-23(34)16-32-21)5-6-25(18)26-9-12-31-29-27(20-3-2-4-24(36)14-20)28(33-35(26)29)19-7-10-30-11-8-19/h2-14,21,23,32,36H,15-17H2,1H3
InChIKeyNHSOOSWIKATDPJ-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.69
Rot. Bonds4

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

3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol (PubChem CID 75223815) has the molecular formula C29H26N6O and a molecular weight of 474.57 g/mol. Its IUPAC name is 3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Name3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
PubChem CID75223815
Molecular FormulaC29H26N6O
Molecular Weight474.57 g/mol
Exact Mass474.22
IUPAC Name3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESCc1cc(N2CC3CC2CN3)ccc1-c1ccnc2c(-c3cccc(O)c3)c(-c3ccncc3)nn12
InChIInChI=1S/C29H26N6O/c1-18-13-22(34-17-21-15-23(34)16-32-21)5-6-25(18)26-9-12-31-29-27(20-3-2-4-24(36)14-20)28(33-35(26)29)19-7-10-30-11-8-19/h2-14,21,23,32,36H,15-17H2,1H3
InChIKeyNHSOOSWIKATDPJ-UHFFFAOYSA-N
XLogP4.69
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol 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
Ethyl 3-(3-(3-hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 44225586
5-(7-(8-Azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-2-chlorophenol
CID 44225813
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

Frequently Asked Questions

What is the IUPAC name of 3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The IUPAC name of 3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol (CID 75223815) is 3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol.
What is the SMILES notation for 3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The canonical SMILES for 3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol is Cc1cc(N2CC3CC2CN3)ccc1-c1ccnc2c(-c3cccc(O)c3)c(-c3ccncc3)nn12.
What is the InChIKey of 3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The InChIKey is NHSOOSWIKATDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O/c1-18-13-22(34-17-21-15-23(34)16-32-21)5-6-25(18)26-9-12-31-29-27(20-3-2-4-24(36)14-20)28(33-35(26)29)19-7-10-30-11-8-19/h2-14,21,23,32,36H,15-17H2,1H3.
What are the key properties of 3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol?
3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol has a molecular weight of 474.57 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol is sourced from PubChem (CID 75223815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).