(Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol

C26H25Cl2N5O3 — CID 145256592

IUPAC(Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol
SMILESCC(Oc1ccc2[nH]nc(/C(O)=C/c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H25Cl2N5O3/c1-16(25-21(27)13-29-14-22(25)28)36-19-4-5-23-20(11-19)26(32-31-23)24(34)10-17-2-3-18(30-12-17)15-33-6-8-35-9-7-33/h2-5,10-14,16,34H,6-9,15H2,1H3,(H,31,32)/b24-10-
InChIKeyQXLRGGKBSLJXJU-VROXFSQNSA-N
MW526.42 g/mol
LogP5.69
Rot. Bonds7

About (Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol

(Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol (PubChem CID 145256592) has the molecular formula C26H25Cl2N5O3 and a molecular weight of 526.42 g/mol. Its IUPAC name is (Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol.

Molecular Properties

Compound Name(Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol
PubChem CID145256592
Molecular FormulaC26H25Cl2N5O3
Molecular Weight526.42 g/mol
Exact Mass525.13
IUPAC Name(Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol
SMILESCC(Oc1ccc2[nH]nc(/C(O)=C/c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H25Cl2N5O3/c1-16(25-21(27)13-29-14-22(25)28)36-19-4-5-23-20(11-19)26(32-31-23)24(34)10-17-2-3-18(30-12-17)15-33-6-8-35-9-7-33/h2-5,10-14,16,34H,6-9,15H2,1H3,(H,31,32)/b24-10-
InChIKeyQXLRGGKBSLJXJU-VROXFSQNSA-N
XLogP5.69
TPSA96.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.42
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-(6-ethyl-3-pyridinyl)-1-fluoroethenyl]-1H-indazole
CID 145256605
[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methanamine
CID 135298146
4-[[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine
CID 134593624
N-[[5-[(Z)-2-[5-[(1S)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
CID 135298205
1-[[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]imino]-4-methyl-1,4-thiazinane 1-oxide
CID 156578139
4-[[5-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine
CID 134593880
N-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine
CID 134593849
4-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-3-isocyanophenyl]methyl]morpholine
CID 140893010
2-[4-[[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]piperazin-1-yl]acetic acid
CID 134593609
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole
CID 135298116
1-[[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]phenyl]methyl]piperidin-4-ol
CID 134593748
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-hydroxy-1H-indazole-3-carboxamide
CID 156577995

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol?
The IUPAC name of (Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol (CID 145256592) is (Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol.
What is the SMILES notation for (Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol?
The canonical SMILES for (Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol is CC(Oc1ccc2[nH]nc(/C(O)=C/c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of (Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol?
The InChIKey is QXLRGGKBSLJXJU-VROXFSQNSA-N. The full InChI is InChI=1S/C26H25Cl2N5O3/c1-16(25-21(27)13-29-14-22(25)28)36-19-4-5-23-20(11-19)26(32-31-23)24(34)10-17-2-3-18(30-12-17)15-33-6-8-35-9-7-33/h2-5,10-14,16,34H,6-9,15H2,1H3,(H,31,32)/b24-10-.
What are the key properties of (Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol?
(Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol has a molecular weight of 526.42 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethenol is sourced from PubChem (CID 145256592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).