5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole

C26H25Cl2FN6O — CID 134593673

IUPAC5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole
SMILESC[C@@H](Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CN4CCNCC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H25Cl2FN6O/c1-16(26-21(27)13-31-14-22(26)28)36-19-4-5-24-20(10-19)25(34-33-24)11-23(29)17-2-3-18(32-12-17)15-35-8-6-30-7-9-35/h2-5,10-14,16,30H,6-9,15H2,1H3,(H,33,34)/b23-11-/t16-/m1/s1
InChIKeyNVFZEXWWSDEZKL-XYIDMMFISA-N
MW527.43 g/mol
LogP5.67
Rot. Bonds7

About 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole

5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole (PubChem CID 134593673) has the molecular formula C26H25Cl2FN6O and a molecular weight of 527.43 g/mol. Its IUPAC name is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole.

Molecular Properties

Compound Name5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole
PubChem CID134593673
Molecular FormulaC26H25Cl2FN6O
Molecular Weight527.43 g/mol
Exact Mass526.15
IUPAC Name5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole
SMILESC[C@@H](Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CN4CCNCC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H25Cl2FN6O/c1-16(26-21(27)13-31-14-22(26)28)36-19-4-5-24-20(10-19)25(34-33-24)11-23(29)17-2-3-18(32-12-17)15-35-8-6-30-7-9-35/h2-5,10-14,16,30H,6-9,15H2,1H3,(H,33,34)/b23-11-/t16-/m1/s1
InChIKeyNVFZEXWWSDEZKL-XYIDMMFISA-N
XLogP5.67
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.43
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole with MolForge

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

Launch Full Analysis

Related Compounds

Ly-2874455
CID 46944259
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
N-[2-[[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]amino]-3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 168269373
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-chloro-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16732276
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-chloro-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647438
3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 122196351
8-((3,5-dichloropyridin-4-yl)methoxy)-2-methyl-4-(4-methyl-1H-pyrazol-3-yl)quinoline
CID 44189789
8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(2H-pyrazol-3-yl)-quinoline
CID 44191226
(E)-2-(4-(2-(5-(1-(3,5-Dichloropyridin-4-YL)ethoxy)-1H-indazol-3-YL)vinyl)-1H-pyrazol-1-YL)ethanol
CID 66646528
2-[4-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
CID 66646767
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole
CID 137133122
5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
CID 156734147

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole?
The IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole (CID 134593673) is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole.
What is the SMILES notation for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole?
The canonical SMILES for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole is C[C@@H](Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CN4CCNCC4)nc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole?
The InChIKey is NVFZEXWWSDEZKL-XYIDMMFISA-N. The full InChI is InChI=1S/C26H25Cl2FN6O/c1-16(26-21(27)13-31-14-22(26)28)36-19-4-5-24-20(10-19)25(34-33-24)11-23(29)17-2-3-18(32-12-17)15-35-8-6-30-7-9-35/h2-5,10-14,16,30H,6-9,15H2,1H3,(H,33,34)/b23-11-/t16-/m1/s1.
What are the key properties of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole?
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole has a molecular weight of 527.43 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole is sourced from PubChem (CID 134593673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).