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

C31H25F3N8 — CID 90705844

IUPAC3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCN1CC2CC1CN2c1ccc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)cc1C(F)(F)F
InChIInChI=1S/C31H25F3N8/c1-40-16-21-14-20(40)17-41(21)27-6-5-19(13-24(27)31(32,33)34)26-9-12-36-30-28(22-3-2-4-25-23(22)15-37-38-25)29(39-42(26)30)18-7-10-35-11-8-18/h2-13,15,20-21H,14,16-17H2,1H3,(H,37,38)
InChIKeyFVDQTDWBXKAMSI-UHFFFAOYSA-N
MW566.59 g/mol
LogP5.91
Rot. Bonds4

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

3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 90705844) has the molecular formula C31H25F3N8 and a molecular weight of 566.59 g/mol. Its IUPAC name is 3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID90705844
Molecular FormulaC31H25F3N8
Molecular Weight566.59 g/mol
Exact Mass566.22
IUPAC Name3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCN1CC2CC1CN2c1ccc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)cc1C(F)(F)F
InChIInChI=1S/C31H25F3N8/c1-40-16-21-14-20(40)17-41(21)27-6-5-19(13-24(27)31(32,33)34)26-9-12-36-30-28(22-3-2-4-25-23(22)15-37-38-25)29(39-42(26)30)18-7-10-35-11-8-18/h2-13,15,20-21H,14,16-17H2,1H3,(H,37,38)
InChIKeyFVDQTDWBXKAMSI-UHFFFAOYSA-N
XLogP5.91
TPSA78.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.59
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ldn-212854
CID 60182388
N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
CID 44517648
Pyrazolo[3,4-d]pyrimidine 16
CID 6539967
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine
CID 134372959
6-[6-(1H-pyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazin-1-ylmethyl]-quinoline
CID 24851953
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
ethyl 3-(3-(7-methyl-1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 44227271
ethyl 3-(3-(7-fluoro-1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 44227274
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

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 90705844) is 3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is CN1CC2CC1CN2c1ccc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)cc1C(F)(F)F.
What is the InChIKey of 3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FVDQTDWBXKAMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N8/c1-40-16-21-14-20(40)17-41(21)27-6-5-19(13-24(27)31(32,33)34)26-9-12-36-30-28(22-3-2-4-25-23(22)15-37-38-25)29(39-42(26)30)18-7-10-35-11-8-18/h2-13,15,20-21H,14,16-17H2,1H3,(H,37,38).
What are the key properties of 3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 566.59 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 90705844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).