N-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine

C21H18N4 — CID 156734117

IUPACN-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
SMILESC(=C/c1[nH]nc2ccc(NCc3ccccc3)cc12)\c1ccccn1
InChIInChI=1S/C21H18N4/c1-2-6-16(7-3-1)15-23-18-10-12-21-19(14-18)20(24-25-21)11-9-17-8-4-5-13-22-17/h1-14,23H,15H2,(H,24,25)/b11-9+
InChIKeyMYNCTXHNZVXWKX-PKNBQFBNSA-N
MW326.40 g/mol
LogP4.74
Rot. Bonds5

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

N-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine (PubChem CID 156734117) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine.

Molecular Properties

Compound NameN-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
PubChem CID156734117
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
SMILESC(=C/c1[nH]nc2ccc(NCc3ccccc3)cc12)\c1ccccn1
InChIInChI=1S/C21H18N4/c1-2-6-16(7-3-1)15-23-18-10-12-21-19(14-18)20(24-25-21)11-9-17-8-4-5-13-22-17/h1-14,23H,15H2,(H,24,25)/b11-9+
InChIKeyMYNCTXHNZVXWKX-PKNBQFBNSA-N
XLogP4.74
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The IUPAC name of N-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine (CID 156734117) is N-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine.
What is the SMILES notation for N-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The canonical SMILES for N-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine is C(=C/c1[nH]nc2ccc(NCc3ccccc3)cc12)\c1ccccn1.
What is the InChIKey of N-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The InChIKey is MYNCTXHNZVXWKX-PKNBQFBNSA-N. The full InChI is InChI=1S/C21H18N4/c1-2-6-16(7-3-1)15-23-18-10-12-21-19(14-18)20(24-25-21)11-9-17-8-4-5-13-22-17/h1-14,23H,15H2,(H,24,25)/b11-9+.
What are the key properties of N-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
N-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine has a molecular weight of 326.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine is sourced from PubChem (CID 156734117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).