N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine

C21H16FN3 — CID 170968974

IUPACN-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine
SMILESCn1nc2c(N=C(c3ccccc3)c3ccccc3)cccc2c1F
InChIInChI=1S/C21H16FN3/c1-25-21(22)17-13-8-14-18(20(17)24-25)23-19(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3
InChIKeyFYELAHRASDQGQI-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.88
Rot. Bonds3

About N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine

N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine (PubChem CID 170968974) has the molecular formula C21H16FN3 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine
PubChem CID170968974
Molecular FormulaC21H16FN3
Molecular Weight329.38 g/mol
Exact Mass329.13
IUPAC NameN-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine
SMILESCn1nc2c(N=C(c3ccccc3)c3ccccc3)cccc2c1F
InChIInChI=1S/C21H16FN3/c1-25-21(22)17-13-8-14-18(20(17)24-25)23-19(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3
InChIKeyFYELAHRASDQGQI-UHFFFAOYSA-N
XLogP4.88
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-methylindazole
CID 151822934
3-(benzhydrylideneamino)-1-methylpyridin-2-one
CID 141425997
N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine
CID 170773446
N-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-1,1-diphenylmethanimine
CID 155332537
N-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine
CID 134455634
N-(benzhydrylideneamino)-3-methyl-4-oxophthalazine-1-carboxamide
CID 9095305
N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine
CID 166161121
1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine
CID 90462536
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine
CID 171058853
N-(2,6-dimethylimidazo[1,2-b]pyridazin-8-yl)-1,1-diphenylmethanimine
CID 139514170
N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine
CID 155435961
2-(7-fluoro-2-methylindazol-3-yl)acetic acid
CID 84722582

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine?
The IUPAC name of N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine (CID 170968974) is N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine is Cn1nc2c(N=C(c3ccccc3)c3ccccc3)cccc2c1F.
What is the InChIKey of N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine?
The InChIKey is FYELAHRASDQGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3/c1-25-21(22)17-13-8-14-18(20(17)24-25)23-19(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3.
What are the key properties of N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine?
N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine has a molecular weight of 329.38 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine is sourced from PubChem (CID 170968974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).