5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole

C24H21Cl2F2N5O — CID 174338057

About 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole

5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole (PubChem CID 174338057) has the molecular formula C24H21Cl2F2N5O and a molecular weight of 504.37 g/mol. Its IUPAC name is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole.

Molecular Properties

• Compound Name: 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole
• PubChem CID: 174338057
• Molecular Formula: C24H21Cl2F2N5O
• Molecular Weight: 504.37 g/mol
• Exact Mass: 503.11
• IUPAC Name: 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole
• SMILES: C[C@@H](Oc1cc2c(-c3cnc(N4CC(C)(C)C4)c(F)c3)n[nH]c2cc1F)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C24H21Cl2F2N5O/c1-12(21-15(25)8-29-9-16(21)26)34-20-5-14-19(6-17(20)27)31-32-22(14)13-4-18(28)23(30-7-13)33-10-24(2,3)11-33/h4-9,12H,10-11H2,1-3H3,(H,31,32)/t12-/m1/s1
• InChIKey: OHBCPLVNLQHFAK-GFCCVEGCSA-N
• XLogP: 6.59
• TPSA: 66.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.37
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole?

The IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole (CID 174338057) is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole.

What is the SMILES notation for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole?

The canonical SMILES for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole is C[C@@H](Oc1cc2c(-c3cnc(N4CC(C)(C)C4)c(F)c3)n[nH]c2cc1F)c1c(Cl)cncc1Cl.

What is the InChIKey of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole?

The InChIKey is OHBCPLVNLQHFAK-GFCCVEGCSA-N. The full InChI is InChI=1S/C24H21Cl2F2N5O/c1-12(21-15(25)8-29-9-16(21)26)34-20-5-14-19(6-17(20)27)31-32-22(14)13-4-18(28)23(30-7-13)33-10-24(2,3)11-33/h4-9,12H,10-11H2,1-3H3,(H,31,32)/t12-/m1/s1.

What are the key properties of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole?

5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole has a molecular weight of 504.37 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(3,3-dimethylazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluoro-1H-indazole is sourced from PubChem (CID 174338057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).