N-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine

C22H19FN4 — CID 156734031

IUPACN-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
SMILESCc1cc(F)cc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C22H19FN4/c1-15-10-16(12-17(23)11-15)14-25-19-6-8-22-20(13-19)21(26-27-22)7-5-18-4-2-3-9-24-18/h2-13,25H,14H2,1H3,(H,26,27)/b7-5+
InChIKeyKMEGQNKGSCVGJZ-FNORWQNLSA-N
MW358.42 g/mol
LogP5.19
Rot. Bonds5

About N-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine

N-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine (PubChem CID 156734031) has the molecular formula C22H19FN4 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine.

Molecular Properties

Compound NameN-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
PubChem CID156734031
Molecular FormulaC22H19FN4
Molecular Weight358.42 g/mol
Exact Mass358.16
IUPAC NameN-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
SMILESCc1cc(F)cc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C22H19FN4/c1-15-10-16(12-17(23)11-15)14-25-19-6-8-22-20(13-19)21(26-27-22)7-5-18-4-2-3-9-24-18/h2-13,25H,14H2,1H3,(H,26,27)/b7-5+
InChIKeyKMEGQNKGSCVGJZ-FNORWQNLSA-N
XLogP5.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The IUPAC name of N-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine (CID 156734031) is N-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine.
What is the SMILES notation for N-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The canonical SMILES for N-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine is Cc1cc(F)cc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.
What is the InChIKey of N-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The InChIKey is KMEGQNKGSCVGJZ-FNORWQNLSA-N. The full InChI is InChI=1S/C22H19FN4/c1-15-10-16(12-17(23)11-15)14-25-19-6-8-22-20(13-19)21(26-27-22)7-5-18-4-2-3-9-24-18/h2-13,25H,14H2,1H3,(H,26,27)/b7-5+.
What are the key properties of N-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
N-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine has a molecular weight of 358.42 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine is sourced from PubChem (CID 156734031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).