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

C30H23F3N8 — CID 91339878

IUPAC7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)ccc1N1CC2CC1CN2
InChIInChI=1S/C30H23F3N8/c31-30(32,33)23-12-18(4-5-26(23)40-16-19-13-20(40)14-36-19)25-8-11-35-29-27(21-2-1-3-24-22(21)15-37-38-24)28(39-41(25)29)17-6-9-34-10-7-17/h1-12,15,19-20,36H,13-14,16H2,(H,37,38)
InChIKeyOLYPKVBFEVMLKA-UHFFFAOYSA-N
MW552.56 g/mol
LogP5.57
Rot. Bonds4

About 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(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)-3-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 91339878) 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)-3-(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)-3-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID91339878
Molecular FormulaC30H23F3N8
Molecular Weight552.56 g/mol
Exact Mass552.20
IUPAC Name7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)ccc1N1CC2CC1CN2
InChIInChI=1S/C30H23F3N8/c31-30(32,33)23-12-18(4-5-26(23)40-16-19-13-20(40)14-36-19)25-8-11-35-29-27(21-2-1-3-24-22(21)15-37-38-24)28(39-41(25)29)17-6-9-34-10-7-17/h1-12,15,19-20,36H,13-14,16H2,(H,37,38)
InChIKeyOLYPKVBFEVMLKA-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)-3-(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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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

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(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)-3-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 91339878) is 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(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)-3-(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)-3-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)ccc1N1CC2CC1CN2.
What is the InChIKey of 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is OLYPKVBFEVMLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N8/c31-30(32,33)23-12-18(4-5-26(23)40-16-19-13-20(40)14-36-19)25-8-11-35-29-27(21-2-1-3-24-22(21)15-37-38-24)28(39-41(25)29)17-6-9-34-10-7-17/h1-12,15,19-20,36H,13-14,16H2,(H,37,38).
What are the key properties of 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(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)-3-(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)-3-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91339878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).