5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane

C29H28FN7O — CID 91580149

About 5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane

5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 91580149) has the molecular formula C29H28FN7O and a molecular weight of 509.59 g/mol. Its IUPAC name is 5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

• Compound Name: 5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane
• PubChem CID: 91580149
• Molecular Formula: C29H28FN7O
• Molecular Weight: 509.59 g/mol
• Exact Mass: 509.23
• IUPAC Name: 5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane
• SMILES: Fc1ccc(-c2c(-c3ccncc3)nn3c(C4CCC(N5CC6CC5CO6)CC4)ccnc23)c2cn[nH]c12
• InChI: InChI=1S/C29H28FN7O/c30-24-6-5-22(23-14-33-34-28(23)24)26-27(18-7-10-31-11-8-18)35-37-25(9-12-32-29(26)37)17-1-3-19(4-2-17)36-15-21-13-20(36)16-38-21/h5-12,14,17,19-21H,1-4,13,15-16H2,(H,33,34)
• InChIKey: MMFUFINGTLEFDR-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 84.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.59
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane?

The IUPAC name of 5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 91580149) is 5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane.

What is the SMILES notation for 5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane?

The canonical SMILES for 5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane is Fc1ccc(-c2c(-c3ccncc3)nn3c(C4CCC(N5CC6CC5CO6)CC4)ccnc23)c2cn[nH]c12.

What is the InChIKey of 5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane?

The InChIKey is MMFUFINGTLEFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN7O/c30-24-6-5-22(23-14-33-34-28(23)24)26-27(18-7-10-31-11-8-18)35-37-25(9-12-32-29(26)37)17-1-3-19(4-2-17)36-15-21-13-20(36)16-38-21/h5-12,14,17,19-21H,1-4,13,15-16H2,(H,33,34).

What are the key properties of 5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane?

5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 509.59 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 91580149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).