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

C26H23Cl2FN6O2 — CID 155040698

IUPAC[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone
SMILESC[C@@H](Oc1ccc2n[nH]c(/C=C(\F)c3ccc(C(=O)N4CCNCC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H23Cl2FN6O2/c1-15(25-19(27)13-31-14-20(25)28)37-17-3-5-22-18(10-17)24(34-33-22)11-21(29)16-2-4-23(32-12-16)26(36)35-8-6-30-7-9-35/h2-5,10-15,30H,6-9H2,1H3,(H,33,34)/b21-11-/t15-/m1/s1
InChIKeyYZWPKQPGTVIESS-ZGFXFUDXSA-N
MW541.41 g/mol
LogP5.31
Rot. Bonds6

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

[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 155040698) has the molecular formula C26H23Cl2FN6O2 and a molecular weight of 541.41 g/mol. Its IUPAC name is [5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone
PubChem CID155040698
Molecular FormulaC26H23Cl2FN6O2
Molecular Weight541.41 g/mol
Exact Mass540.12
IUPAC Name[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone
SMILESC[C@@H](Oc1ccc2n[nH]c(/C=C(\F)c3ccc(C(=O)N4CCNCC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H23Cl2FN6O2/c1-15(25-19(27)13-31-14-20(25)28)37-17-3-5-22-18(10-17)24(34-33-22)11-21(29)16-2-4-23(32-12-16)26(36)35-8-6-30-7-9-35/h2-5,10-15,30H,6-9H2,1H3,(H,33,34)/b21-11-/t15-/m1/s1
InChIKeyYZWPKQPGTVIESS-ZGFXFUDXSA-N
XLogP5.31
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.41
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

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
1-[[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]imino]-4-methyl-1,4-thiazinane 1-oxide
CID 156578136
5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-piperidin-4-ylpyridin-2-amine
CID 135298107
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxolan-3-yloxy)-3-pyridinyl]ethenyl]-2H-indazole
CID 155420714
5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole
CID 156577917
5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole
CID 157403650
N-[[5-[(Z)-2-[5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
CID 134593603
[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 162311753
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indazole
CID 170647467
1-[4-[[5-[(Z)-2-[6-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]piperazin-1-yl]propan-2-one
CID 158472732
[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 135298138
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride
CID 174222780

Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone (CID 155040698) is [5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone is C[C@@H](Oc1ccc2n[nH]c(/C=C(\F)c3ccc(C(=O)N4CCNCC4)nc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of [5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is YZWPKQPGTVIESS-ZGFXFUDXSA-N. The full InChI is InChI=1S/C26H23Cl2FN6O2/c1-15(25-19(27)13-31-14-20(25)28)37-17-3-5-22-18(10-17)24(34-33-22)11-21(29)16-2-4-23(32-12-16)26(36)35-8-6-30-7-9-35/h2-5,10-15,30H,6-9H2,1H3,(H,33,34)/b21-11-/t15-/m1/s1.
What are the key properties of [5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone?
[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 541.41 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 155040698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).