4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine

C26H24Cl2FN5O2 — CID 134593719

IUPAC4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine
SMILESC[C@@H](Oc1ccc2[nH]nc(/C(F)=C\c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H24Cl2FN5O2/c1-16(25-21(27)13-30-14-22(25)28)36-19-4-5-24-20(11-19)26(33-32-24)23(29)10-17-2-3-18(31-12-17)15-34-6-8-35-9-7-34/h2-5,10-14,16H,6-9,15H2,1H3,(H,32,33)/b23-10+/t16-/m1/s1
InChIKeyCBLBLWIOOCYWEM-GENGVREBSA-N
MW528.42 g/mol
LogP6.10
Rot. Bonds7

About 4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine

4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine (PubChem CID 134593719) has the molecular formula C26H24Cl2FN5O2 and a molecular weight of 528.42 g/mol. Its IUPAC name is 4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine
PubChem CID134593719
Molecular FormulaC26H24Cl2FN5O2
Molecular Weight528.42 g/mol
Exact Mass527.13
IUPAC Name4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine
SMILESC[C@@H](Oc1ccc2[nH]nc(/C(F)=C\c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H24Cl2FN5O2/c1-16(25-21(27)13-30-14-22(25)28)36-19-4-5-24-20(11-19)26(33-32-24)23(29)10-17-2-3-18(31-12-17)15-34-6-8-35-9-7-34/h2-5,10-14,16H,6-9,15H2,1H3,(H,32,33)/b23-10+/t16-/m1/s1
InChIKeyCBLBLWIOOCYWEM-GENGVREBSA-N
XLogP6.10
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.42
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine?
The IUPAC name of 4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine (CID 134593719) is 4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine?
The canonical SMILES for 4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine is C[C@@H](Oc1ccc2[nH]nc(/C(F)=C\c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine?
The InChIKey is CBLBLWIOOCYWEM-GENGVREBSA-N. The full InChI is InChI=1S/C26H24Cl2FN5O2/c1-16(25-21(27)13-30-14-22(25)28)36-19-4-5-24-20(11-19)26(33-32-24)23(29)10-17-2-3-18(31-12-17)15-34-6-8-35-9-7-34/h2-5,10-14,16H,6-9,15H2,1H3,(H,32,33)/b23-10+/t16-/m1/s1.
What are the key properties of 4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine?
4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine has a molecular weight of 528.42 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine is sourced from PubChem (CID 134593719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).