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

C29H24N8 — CID 91564508

IUPAC7-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)cc(N2CC3CC2CN3)c1
InChIInChI=1S/C29H24N8/c1-3-19(13-21(4-1)36-17-20-14-22(36)15-32-20)26-9-12-31-29-27(23-5-2-6-25-24(23)16-33-34-25)28(35-37(26)29)18-7-10-30-11-8-18/h1-13,16,20,22,32H,14-15,17H2,(H,33,34)
InChIKeyCQTKHAMKCRQSSI-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.55
Rot. Bonds4

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

7-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 91564508) has the molecular formula C29H24N8 and a molecular weight of 484.57 g/mol. Its IUPAC name is 7-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID91564508
Molecular FormulaC29H24N8
Molecular Weight484.57 g/mol
Exact Mass484.21
IUPAC Name7-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)cc(N2CC3CC2CN3)c1
InChIInChI=1S/C29H24N8/c1-3-19(13-21(4-1)36-17-20-14-22(36)15-32-20)26-9-12-31-29-27(23-5-2-6-25-24(23)16-33-34-25)28(35-37(26)29)18-7-10-30-11-8-18/h1-13,16,20,22,32H,14-15,17H2,(H,33,34)
InChIKeyCQTKHAMKCRQSSI-UHFFFAOYSA-N
XLogP4.55
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

Ldn-212854
CID 60182388
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
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N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
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Pyrazolo[3,4-d]pyrimidine 16
CID 6539967
1-[1-({4-[3-phenyl-5-(1H-1,2,4-triazol-3-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11421183
9-(2-(1H-indazol-4-yl)vinyl)-N-(4-(dimethylphosphoryl)phenyl)-9H-purin-6-amine
CID 44561737
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
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3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
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CID 129316173
3-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 9952249
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

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 91564508) is 7-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is c1cc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)cc(N2CC3CC2CN3)c1.
What is the InChIKey of 7-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CQTKHAMKCRQSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N8/c1-3-19(13-21(4-1)36-17-20-14-22(36)15-32-20)26-9-12-31-29-27(23-5-2-6-25-24(23)16-33-34-25)28(35-37(26)29)18-7-10-30-11-8-18/h1-13,16,20,22,32H,14-15,17H2,(H,33,34).
What are the key properties of 7-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
7-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 484.57 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91564508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).