7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C30H23F3N8 — CID 91245283

IUPAC7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(N2CC3CC2CN3)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12
InChIInChI=1S/C30H23F3N8/c31-30(32,33)24-13-19(40-16-18-12-20(40)14-36-18)4-5-22(24)26-8-11-35-29-27(21-2-1-3-25-23(21)15-37-38-25)28(39-41(26)29)17-6-9-34-10-7-17/h1-11,13,15,18,20,36H,12,14,16H2,(H,37,38)
InChIKeyAGXQQAUHGIAXDX-UHFFFAOYSA-N
MW552.56 g/mol
LogP5.57
Rot. Bonds4

About 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 91245283) has the molecular formula C30H23F3N8 and a molecular weight of 552.56 g/mol. Its IUPAC name is 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID91245283
Molecular FormulaC30H23F3N8
Molecular Weight552.56 g/mol
Exact Mass552.20
IUPAC Name7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(N2CC3CC2CN3)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12
InChIInChI=1S/C30H23F3N8/c31-30(32,33)24-13-19(40-16-18-12-20(40)14-36-18)4-5-22(24)26-8-11-35-29-27(21-2-1-3-25-23(21)15-37-38-25)28(39-41(26)29)17-6-9-34-10-7-17/h1-11,13,15,18,20,36H,12,14,16H2,(H,37,38)
InChIKeyAGXQQAUHGIAXDX-UHFFFAOYSA-N
XLogP5.57
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.56
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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Pyrazolo[3,4-d]pyrimidine 16
CID 6539967
7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
3-(1h-Indazol-4-yl)-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 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
7-[2-chloro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836540
7-[2-bromo-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836541
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 91245283) is 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(N2CC3CC2CN3)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12.
What is the InChIKey of 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is AGXQQAUHGIAXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N8/c31-30(32,33)24-13-19(40-16-18-12-20(40)14-36-18)4-5-22(24)26-8-11-35-29-27(21-2-1-3-25-23(21)15-37-38-25)28(39-41(26)29)17-6-9-34-10-7-17/h1-11,13,15,18,20,36H,12,14,16H2,(H,37,38).
What are the key properties of 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 552.56 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91245283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).