4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine

C26H26ClFN6O2 — CID 134593811

IUPAC4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine
SMILESCc1cncc(Cl)c1C(C)Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCOCC4)nn3)c2c1
InChIInChI=1S/C26H26ClFN6O2/c1-16-13-29-14-22(27)25(16)17(2)36-20-5-6-24-21(12-20)26(33-32-24)23(28)11-18-3-4-19(31-30-18)15-34-7-9-35-10-8-34/h3-6,11-14,17H,7-10,15H2,1-2H3,(H,32,33)/b23-11-
InChIKeyIFECTLMVXIICEB-KSEXSDGBSA-N
MW508.99 g/mol
LogP5.15
Rot. Bonds7

About 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine

4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine (PubChem CID 134593811) has the molecular formula C26H26ClFN6O2 and a molecular weight of 508.99 g/mol. Its IUPAC name is 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine
PubChem CID134593811
Molecular FormulaC26H26ClFN6O2
Molecular Weight508.99 g/mol
Exact Mass508.18
IUPAC Name4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine
SMILESCc1cncc(Cl)c1C(C)Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCOCC4)nn3)c2c1
InChIInChI=1S/C26H26ClFN6O2/c1-16-13-29-14-22(27)25(16)17(2)36-20-5-6-24-21(12-20)26(33-32-24)23(28)11-18-3-4-19(31-30-18)15-34-7-9-35-10-8-34/h3-6,11-14,17H,7-10,15H2,1-2H3,(H,32,33)/b23-11-
InChIKeyIFECTLMVXIICEB-KSEXSDGBSA-N
XLogP5.15
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.99
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine (CID 134593811) is 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine is Cc1cncc(Cl)c1C(C)Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCOCC4)nn3)c2c1.
What is the InChIKey of 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine?
The InChIKey is IFECTLMVXIICEB-KSEXSDGBSA-N. The full InChI is InChI=1S/C26H26ClFN6O2/c1-16-13-29-14-22(27)25(16)17(2)36-20-5-6-24-21(12-20)26(33-32-24)23(28)11-18-3-4-19(31-30-18)15-34-7-9-35-10-8-34/h3-6,11-14,17H,7-10,15H2,1-2H3,(H,32,33)/b23-11-.
What are the key properties of 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine?
4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine has a molecular weight of 508.99 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine is sourced from PubChem (CID 134593811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).