2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol

C27H27N7O — CID 45486205

IUPAC2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol
SMILESOCCN1C2CCC1CC(c1ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn13)C2
InChIInChI=1S/C27H27N7O/c35-13-12-33-19-4-5-20(33)15-18(14-19)24-8-11-29-27-25(21-2-1-3-23-22(21)16-30-31-23)26(32-34(24)27)17-6-9-28-10-7-17/h1-3,6-11,16,18-20,35H,4-5,12-15H2,(H,30,31)
InChIKeyOTXSLTBIOFQJDD-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.04
Rot. Bonds5

About 2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol

2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol (PubChem CID 45486205) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is 2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol.

Molecular Properties

Compound Name2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol
PubChem CID45486205
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol
SMILESOCCN1C2CCC1CC(c1ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn13)C2
InChIInChI=1S/C27H27N7O/c35-13-12-33-19-4-5-20(33)15-18(14-19)24-8-11-29-27-25(21-2-1-3-23-22(21)16-30-31-23)26(32-34(24)27)17-6-9-28-10-7-17/h1-3,6-11,16,18-20,35H,4-5,12-15H2,(H,30,31)
InChIKeyOTXSLTBIOFQJDD-UHFFFAOYSA-N
XLogP4.04
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol?
The IUPAC name of 2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol (CID 45486205) is 2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol.
What is the SMILES notation for 2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol?
The canonical SMILES for 2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol is OCCN1C2CCC1CC(c1ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn13)C2.
What is the InChIKey of 2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol?
The InChIKey is OTXSLTBIOFQJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c35-13-12-33-19-4-5-20(33)15-18(14-19)24-8-11-29-27-25(21-2-1-3-23-22(21)16-30-31-23)26(32-34(24)27)17-6-9-28-10-7-17/h1-3,6-11,16,18-20,35H,4-5,12-15H2,(H,30,31).
What are the key properties of 2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol?
2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol has a molecular weight of 465.56 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol is sourced from PubChem (CID 45486205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).