1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine

C20H16F2N6 — CID 59796927

IUPAC1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine
SMILESNC1(c2nc(-c3cc(F)c4n[nH]c(/C=C/c5ccc(F)cc5)c4c3)n[nH]2)CC1
InChIInChI=1S/C20H16F2N6/c21-13-4-1-11(2-5-13)3-6-16-14-9-12(10-15(22)17(14)26-25-16)18-24-19(28-27-18)20(23)7-8-20/h1-6,9-10H,7-8,23H2,(H,25,26)(H,24,27,28)/b6-3+
InChIKeyNZSGTZNQFNLRBN-ZZXKWVIFSA-N
MW378.39 g/mol
LogP3.74
Rot. Bonds4

About 1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine

1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine (PubChem CID 59796927) has the molecular formula C20H16F2N6 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine
PubChem CID59796927
Molecular FormulaC20H16F2N6
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine
SMILESNC1(c2nc(-c3cc(F)c4n[nH]c(/C=C/c5ccc(F)cc5)c4c3)n[nH]2)CC1
InChIInChI=1S/C20H16F2N6/c21-13-4-1-11(2-5-13)3-6-16-14-9-12(10-15(22)17(14)26-25-16)18-24-19(28-27-18)20(23)7-8-20/h1-6,9-10H,7-8,23H2,(H,25,26)(H,24,27,28)/b6-3+
InChIKeyNZSGTZNQFNLRBN-ZZXKWVIFSA-N
XLogP3.74
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-indazole
CID 59797075
2-[3-[7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylethanamine
CID 72564436
4-[3-[7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylbutan-2-amine
CID 68933053
7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole
CID 68932417
1-[5-[7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 68930812
7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazol-5-amine
CID 68926886
7-fluoro-3-(2-pyridin-2-ylethenyl)-2H-indazol-5-amine
CID 68932337
4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine
CID 61352388
1-[5-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851937
4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
CID 162721186
3,5-bis(2-phenylethenyl)-2H-indazole
CID 69468999
2-[2-(4-fluorophenyl)ethenyl]-6-[2-[6-[2-(4-fluorophenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene
CID 72534274

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine?
The IUPAC name of 1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine (CID 59796927) is 1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine is NC1(c2nc(-c3cc(F)c4n[nH]c(/C=C/c5ccc(F)cc5)c4c3)n[nH]2)CC1.
What is the InChIKey of 1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine?
The InChIKey is NZSGTZNQFNLRBN-ZZXKWVIFSA-N. The full InChI is InChI=1S/C20H16F2N6/c21-13-4-1-11(2-5-13)3-6-16-14-9-12(10-15(22)17(14)26-25-16)18-24-19(28-27-18)20(23)7-8-20/h1-6,9-10H,7-8,23H2,(H,25,26)(H,24,27,28)/b6-3+.
What are the key properties of 1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine?
1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine has a molecular weight of 378.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 59796927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).