5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole

C25H26Cl2N6O2 — CID 167155810

About 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole

5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole (PubChem CID 167155810) has the molecular formula C25H26Cl2N6O2 and a molecular weight of 513.43 g/mol. Its IUPAC name is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole.

Molecular Properties

• Compound Name: 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole
• PubChem CID: 167155810
• Molecular Formula: C25H26Cl2N6O2
• Molecular Weight: 513.43 g/mol
• Exact Mass: 512.15
• IUPAC Name: 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole
• SMILES: C[C@@H](Oc1ccc2[nH]nc(-c3cnn(C4CCN(C5COC5)CC4)c3)c2c1)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C25H26Cl2N6O2/c1-15(24-21(26)10-28-11-22(24)27)35-19-2-3-23-20(8-19)25(31-30-23)16-9-29-33(12-16)17-4-6-32(7-5-17)18-13-34-14-18/h2-3,8-12,15,17-18H,4-7,13-14H2,1H3,(H,30,31)/t15-/m1/s1
• InChIKey: MMGSRXJFZCVMQR-OAHLLOKOSA-N
• XLogP: 5.30
• TPSA: 81.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.43
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole?

The IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole (CID 167155810) is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole.

What is the SMILES notation for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole?

The canonical SMILES for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole is C[C@@H](Oc1ccc2[nH]nc(-c3cnn(C4CCN(C5COC5)CC4)c3)c2c1)c1c(Cl)cncc1Cl.

What is the InChIKey of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole?

The InChIKey is MMGSRXJFZCVMQR-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H26Cl2N6O2/c1-15(24-21(26)10-28-11-22(24)27)35-19-2-3-23-20(8-19)25(31-30-23)16-9-29-33(12-16)17-4-6-32(7-5-17)18-13-34-14-18/h2-3,8-12,15,17-18H,4-7,13-14H2,1H3,(H,30,31)/t15-/m1/s1.

What are the key properties of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole?

5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole has a molecular weight of 513.43 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole is sourced from PubChem (CID 167155810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).