5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole

C25H19ClFN7 — CID 159665552

IUPAC5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole
SMILESCC/C(=C(/c1ccc(/C=C/C2=NN=NC2)nc1)c1ccc2n[nH]c(F)c2c1)c1ccncc1Cl
InChIInChI=1S/C25H19ClFN7/c1-2-19(20-9-10-28-14-22(20)26)24(15-4-8-23-21(11-15)25(27)33-32-23)16-3-5-17(29-12-16)6-7-18-13-30-34-31-18/h3-12,14H,2,13H2,1H3,(H,32,33)/b7-6+,24-19-
InChIKeyMTIXVYRCUQJNKS-XPWLLABLSA-N
MW471.93 g/mol
LogP6.35
Rot. Bonds6

About 5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole

5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole (PubChem CID 159665552) has the molecular formula C25H19ClFN7 and a molecular weight of 471.93 g/mol. Its IUPAC name is 5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole.

Molecular Properties

Compound Name5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole
PubChem CID159665552
Molecular FormulaC25H19ClFN7
Molecular Weight471.93 g/mol
Exact Mass471.14
IUPAC Name5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole
SMILESCC/C(=C(/c1ccc(/C=C/C2=NN=NC2)nc1)c1ccc2n[nH]c(F)c2c1)c1ccncc1Cl
InChIInChI=1S/C25H19ClFN7/c1-2-19(20-9-10-28-14-22(20)26)24(15-4-8-23-21(11-15)25(27)33-32-23)16-3-5-17(29-12-16)6-7-18-13-30-34-31-18/h3-12,14H,2,13H2,1H3,(H,32,33)/b7-6+,24-19-
InChIKeyMTIXVYRCUQJNKS-XPWLLABLSA-N
XLogP6.35
TPSA91.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.93
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-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

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole?
The IUPAC name of 5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole (CID 159665552) is 5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole.
What is the SMILES notation for 5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole?
The canonical SMILES for 5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole is CC/C(=C(/c1ccc(/C=C/C2=NN=NC2)nc1)c1ccc2n[nH]c(F)c2c1)c1ccncc1Cl.
What is the InChIKey of 5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole?
The InChIKey is MTIXVYRCUQJNKS-XPWLLABLSA-N. The full InChI is InChI=1S/C25H19ClFN7/c1-2-19(20-9-10-28-14-22(20)26)24(15-4-8-23-21(11-15)25(27)33-32-23)16-3-5-17(29-12-16)6-7-18-13-30-34-31-18/h3-12,14H,2,13H2,1H3,(H,32,33)/b7-6+,24-19-.
What are the key properties of 5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole?
5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole has a molecular weight of 471.93 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(3-chloro-4-pyridinyl)-1-[6-[(E)-2-(4H-triazol-5-yl)ethenyl]-3-pyridinyl]but-1-enyl]-3-fluoro-2H-indazole is sourced from PubChem (CID 159665552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).