3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C30H27FN6O — CID 75223650

IUPAC3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2c(-c3ccncc3)nn3c(-c4ccc(N5CC6CC5CN6C)cc4)ccnc23)ccc1F
InChIInChI=1S/C30H27FN6O/c1-35-17-24-16-23(35)18-36(24)22-6-3-19(4-7-22)26-11-14-33-30-28(21-5-8-25(31)27(15-21)38-2)29(34-37(26)30)20-9-12-32-13-10-20/h3-15,23-24H,16-18H2,1-2H3
InChIKeySRWHVBZLJOECLF-UHFFFAOYSA-N
MW506.59 g/mol
LogP5.17
Rot. Bonds5

About 3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 75223650) has the molecular formula C30H27FN6O and a molecular weight of 506.59 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID75223650
Molecular FormulaC30H27FN6O
Molecular Weight506.59 g/mol
Exact Mass506.22
IUPAC Name3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2c(-c3ccncc3)nn3c(-c4ccc(N5CC6CC5CN6C)cc4)ccnc23)ccc1F
InChIInChI=1S/C30H27FN6O/c1-35-17-24-16-23(35)18-36(24)22-6-3-19(4-7-22)26-11-14-33-30-28(21-5-8-25(31)27(15-21)38-2)29(34-37(26)30)20-9-12-32-13-10-20/h3-15,23-24H,16-18H2,1-2H3
InChIKeySRWHVBZLJOECLF-UHFFFAOYSA-N
XLogP5.17
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.59
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

Mak-683
CID 121412508
Methyl substituted pyrazole, 28
CID 23648676
3-(3-Hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44226447
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 3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 75223650) is 3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is COc1cc(-c2c(-c3ccncc3)nn3c(-c4ccc(N5CC6CC5CN6C)cc4)ccnc23)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is SRWHVBZLJOECLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O/c1-35-17-24-16-23(35)18-36(24)22-6-3-19(4-7-22)26-11-14-33-30-28(21-5-8-25(31)27(15-21)38-2)29(34-37(26)30)20-9-12-32-13-10-20/h3-15,23-24H,16-18H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 506.59 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75223650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).