1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol

C26H26Cl2F2N6O2 — CID 170708609

About 1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol

1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol (PubChem CID 170708609) has the molecular formula C26H26Cl2F2N6O2 and a molecular weight of 563.44 g/mol. Its IUPAC name is 1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol
• PubChem CID: 170708609
• Molecular Formula: C26H26Cl2F2N6O2
• Molecular Weight: 563.44 g/mol
• Exact Mass: 562.15
• IUPAC Name: 1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol
• SMILES: CC(C)(O)CNC1(C)CN(c2ncc(-c3n[nH]c4ccc(OCc5c(Cl)cncc5Cl)c(F)c34)cc2F)C1
• InChI: InChI=1S/C26H26Cl2F2N6O2/c1-25(2,37)11-33-26(3)12-36(13-26)24-18(29)6-14(7-32-24)23-21-19(34-35-23)4-5-20(22(21)30)38-10-15-16(27)8-31-9-17(15)28/h4-9,33,37H,10-13H2,1-3H3,(H,34,35)
• InChIKey: GWZJRRGLSHYWKP-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 99.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.44
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol?

The IUPAC name of 1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol (CID 170708609) is 1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol.

What is the SMILES notation for 1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol?

The canonical SMILES for 1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol is CC(C)(O)CNC1(C)CN(c2ncc(-c3n[nH]c4ccc(OCc5c(Cl)cncc5Cl)c(F)c34)cc2F)C1.

What is the InChIKey of 1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol?

The InChIKey is GWZJRRGLSHYWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2F2N6O2/c1-25(2,37)11-33-26(3)12-36(13-26)24-18(29)6-14(7-32-24)23-21-19(34-35-23)4-5-20(22(21)30)38-10-15-16(27)8-31-9-17(15)28/h4-9,33,37H,10-13H2,1-3H3,(H,34,35).

What are the key properties of 1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol?

1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol has a molecular weight of 563.44 g/mol, XLogP of 5.12, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-[5-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-4-fluoro-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 170708609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).