N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine

C26H24F2N4O — CID 175202533

IUPACN-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine
SMILESFc1cc(F)cc(CNc2ccc3c(c2)c(C=Cc2ccccn2)nn3C2CCCCO2)c1
InChIInChI=1S/C26H24F2N4O/c27-19-13-18(14-20(28)15-19)17-30-22-8-10-25-23(16-22)24(9-7-21-5-1-3-11-29-21)31-32(25)26-6-2-4-12-33-26/h1,3,5,7-11,13-16,26,30H,2,4,6,12,17H2
InChIKeyHHBLGXIPUMRDMC-UHFFFAOYSA-N
MW446.50 g/mol
LogP6.19
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine

N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine (PubChem CID 175202533) has the molecular formula C26H24F2N4O and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine
PubChem CID175202533
Molecular FormulaC26H24F2N4O
Molecular Weight446.50 g/mol
Exact Mass446.19
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine
SMILESFc1cc(F)cc(CNc2ccc3c(c2)c(C=Cc2ccccn2)nn3C2CCCCO2)c1
InChIInChI=1S/C26H24F2N4O/c27-19-13-18(14-20(28)15-19)17-30-22-8-10-25-23(16-22)24(9-7-21-5-1-3-11-29-21)31-32(25)26-6-2-4-12-33-26/h1,3,5,7-11,13-16,26,30H,2,4,6,12,17H2
InChIKeyHHBLGXIPUMRDMC-UHFFFAOYSA-N
XLogP6.19
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine (CID 175202533) is N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine is Fc1cc(F)cc(CNc2ccc3c(c2)c(C=Cc2ccccn2)nn3C2CCCCO2)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine?
The InChIKey is HHBLGXIPUMRDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O/c27-19-13-18(14-20(28)15-19)17-30-22-8-10-25-23(16-22)24(9-7-21-5-1-3-11-29-21)31-32(25)26-6-2-4-12-33-26/h1,3,5,7-11,13-16,26,30H,2,4,6,12,17H2.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine?
N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine has a molecular weight of 446.50 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine is sourced from PubChem (CID 175202533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).