N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine

C15H11F2N3 — CID 163932028

IUPACN-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine
SMILESC=Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12
InChIInChI=1S/C15H11F2N3/c1-18-15-13-7-9(2-3-14(13)19-20-15)4-10-5-11(16)8-12(17)6-10/h2-3,5-8H,1,4H2,(H,19,20)
InChIKeyRJMHXJARFGTGJA-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.76
Rot. Bonds3

About N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine

N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine (PubChem CID 163932028) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine.

Molecular Properties

Compound NameN-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine
PubChem CID163932028
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC NameN-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine
SMILESC=Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12
InChIInChI=1S/C15H11F2N3/c1-18-15-13-7-9(2-3-14(13)19-20-15)4-10-5-11(16)8-12(17)6-10/h2-3,5-8H,1,4H2,(H,19,20)
InChIKeyRJMHXJARFGTGJA-UHFFFAOYSA-N
XLogP3.76
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methyl-1,4-diazepan-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine
CID 177383210
5-[(4-methylphenyl)methyl]-1H-indazol-3-amine
CID 118798890
5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole
CID 156734081
5-[(3,5-difluorophenyl)methyl]-3-(2-pyridin-2-ylethenyl)-2H-indazole
CID 175367489
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-nitro-4-(piperidin-1-ylmethyl)benzamide
CID 68672122
5-(pyridin-3-ylmethyl)-1H-indazol-3-amine
CID 68672103
5-prop-2-enyl-1H-indazol-3-amine
CID 58990870
3-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(3-fluoropropylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 142797104
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-2-ylbenzamide
CID 162486097
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(spiro[2.5]octan-6-ylamino)benzamide
CID 158328882
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[(3R)-1-methylpyrrolidin-3-yl]oxy-2-(oxan-4-ylamino)benzamide
CID 68672191

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine?
The IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine (CID 163932028) is N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine.
What is the SMILES notation for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine?
The canonical SMILES for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine is C=Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12.
What is the InChIKey of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine?
The InChIKey is RJMHXJARFGTGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c1-18-15-13-7-9(2-3-14(13)19-20-15)4-10-5-11(16)8-12(17)6-10/h2-3,5-8H,1,4H2,(H,19,20).
What are the key properties of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine?
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine has a molecular weight of 271.27 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine is sourced from PubChem (CID 163932028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).