N-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine

C25H24N4O — CID 68998017

IUPACN-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine
SMILESC(=C/c1nn(C2CCCCO2)c2ccccc12)\c1ccccc1Nc1ccccn1
InChIInChI=1S/C25H24N4O/c1-3-11-21(27-24-13-5-7-17-26-24)19(9-1)15-16-22-20-10-2-4-12-23(20)29(28-22)25-14-6-8-18-30-25/h1-5,7,9-13,15-17,25H,6,8,14,18H2,(H,26,27)/b16-15+
InChIKeyASMNKUYIKOCFGG-FOCLMDBBSA-N
MW396.49 g/mol
LogP6.04
Rot. Bonds5

About N-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine

N-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine (PubChem CID 68998017) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine
PubChem CID68998017
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine
SMILESC(=C/c1nn(C2CCCCO2)c2ccccc12)\c1ccccc1Nc1ccccn1
InChIInChI=1S/C25H24N4O/c1-3-11-21(27-24-13-5-7-17-26-24)19(9-1)15-16-22-20-10-2-4-12-23(20)29(28-22)25-14-6-8-18-30-25/h1-5,7,9-13,15-17,25H,6,8,14,18H2,(H,26,27)/b16-15+
InChIKeyASMNKUYIKOCFGG-FOCLMDBBSA-N
XLogP6.04
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine?
The IUPAC name of N-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine (CID 68998017) is N-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine?
The canonical SMILES for N-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine is C(=C/c1nn(C2CCCCO2)c2ccccc12)\c1ccccc1Nc1ccccn1.
What is the InChIKey of N-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine?
The InChIKey is ASMNKUYIKOCFGG-FOCLMDBBSA-N. The full InChI is InChI=1S/C25H24N4O/c1-3-11-21(27-24-13-5-7-17-26-24)19(9-1)15-16-22-20-10-2-4-12-23(20)29(28-22)25-14-6-8-18-30-25/h1-5,7,9-13,15-17,25H,6,8,14,18H2,(H,26,27)/b16-15+.
What are the key properties of N-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine?
N-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine has a molecular weight of 396.49 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 68998017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).