[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine

C22H18Cl2FN5O — CID 135298146

About [5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine

[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine (PubChem CID 135298146) has the molecular formula C22H18Cl2FN5O and a molecular weight of 458.32 g/mol. Its IUPAC name is [5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine.

Molecular Properties

• Compound Name: [5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine
• PubChem CID: 135298146
• Molecular Formula: C22H18Cl2FN5O
• Molecular Weight: 458.32 g/mol
• Exact Mass: 457.09
• IUPAC Name: [5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine
• SMILES: CC(Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN)nc3)c2c1)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C22H18Cl2FN5O/c1-12(21-17(23)10-27-11-18(21)24)31-15-4-5-20-16(7-15)22(30-29-20)19(25)6-13-2-3-14(8-26)28-9-13/h2-7,9-12H,8,26H2,1H3,(H,29,30)/b19-6-
• InChIKey: GUMQJDVAWKPJDX-SWNXQHNESA-N
• XLogP: 5.73
• TPSA: 89.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.32
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine?

The IUPAC name of [5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine (CID 135298146) is [5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine.

What is the SMILES notation for [5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine?

The canonical SMILES for [5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine is CC(Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN)nc3)c2c1)c1c(Cl)cncc1Cl.

What is the InChIKey of [5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine?

The InChIKey is GUMQJDVAWKPJDX-SWNXQHNESA-N. The full InChI is InChI=1S/C22H18Cl2FN5O/c1-12(21-17(23)10-27-11-18(21)24)31-15-4-5-20-16(7-15)22(30-29-20)19(25)6-13-2-3-14(8-26)28-9-13/h2-7,9-12H,8,26H2,1H3,(H,29,30)/b19-6-.

What are the key properties of [5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine?

[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine has a molecular weight of 458.32 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 135298146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).