5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane

C20H21N5O2 — CID 118657088

About 5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane

5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 118657088) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

• Compound Name: 5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
• PubChem CID: 118657088
• Molecular Formula: C20H21N5O2
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.17
• IUPAC Name: 5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
• SMILES: CC1(Oc2ccc3[nH]nc(-c4cc(N5CC6CC5CO6)ncn4)c3c2)CC1
• InChI: InChI=1S/C20H21N5O2/c1-20(4-5-20)27-13-2-3-16-15(7-13)19(24-23-16)17-8-18(22-11-21-17)25-9-14-6-12(25)10-26-14/h2-3,7-8,11-12,14H,4-6,9-10H2,1H3,(H,23,24)
• InChIKey: KPBKXBHZDBGRLV-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 76.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?

The IUPAC name of 5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 118657088) is 5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane.

What is the SMILES notation for 5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?

The canonical SMILES for 5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane is CC1(Oc2ccc3[nH]nc(-c4cc(N5CC6CC5CO6)ncn4)c3c2)CC1.

What is the InChIKey of 5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?

The InChIKey is KPBKXBHZDBGRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-20(4-5-20)27-13-2-3-16-15(7-13)19(24-23-16)17-8-18(22-11-21-17)25-9-14-6-12(25)10-26-14/h2-3,7-8,11-12,14H,4-6,9-10H2,1H3,(H,23,24).

What are the key properties of 5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?

5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 363.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 118657088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).