3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine

C26H26FN3 — CID 143670879

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)NCC(C)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C26H26FN3/c1-18(2)28-16-19(3)26(20-7-5-4-6-8-20)21-9-14-25-22(15-21)17-29-30(25)24-12-10-23(27)11-13-24/h4-15,17,19,26,28H,1,16H2,2-3H3
InChIKeyXXGGXQHVSNHKFP-UHFFFAOYSA-N
MW399.51 g/mol
LogP6.06
Rot. Bonds7

About 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine

3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine (PubChem CID 143670879) has the molecular formula C26H26FN3 and a molecular weight of 399.51 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine
PubChem CID143670879
Molecular FormulaC26H26FN3
Molecular Weight399.51 g/mol
Exact Mass399.21
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)NCC(C)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C26H26FN3/c1-18(2)28-16-19(3)26(20-7-5-4-6-8-20)21-9-14-25-22(15-21)17-29-30(25)24-12-10-23(27)11-13-24/h4-15,17,19,26,28H,1,16H2,2-3H3
InChIKeyXXGGXQHVSNHKFP-UHFFFAOYSA-N
XLogP6.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.51
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide
CID 59252893
ethane;2-methyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-(2,2,2-trifluoroethylsulfanyl)propan-1-amine;propane
CID 143670885
3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide
CID 59252835
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2,2-dimethylpropanamide
CID 59251075
2,2,3,3,3-pentafluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251063
2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-2-methylbutanoic acid
CID 174601440
N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
CID 68708258
N-benzyl-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanamine
CID 59437304
3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide
CID 88883656
[1-(4-fluorophenyl)indazol-5-yl]-pyridin-4-ylmethanol
CID 67005631
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]sulfanyl-1-phenylpropan-2-yl]acetamide
CID 59339912
2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 91274945

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine (CID 143670879) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine is C=C(C)NCC(C)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine?
The InChIKey is XXGGXQHVSNHKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3/c1-18(2)28-16-19(3)26(20-7-5-4-6-8-20)21-9-14-25-22(15-21)17-29-30(25)24-12-10-23(27)11-13-24/h4-15,17,19,26,28H,1,16H2,2-3H3.
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine?
3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine has a molecular weight of 399.51 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine is sourced from PubChem (CID 143670879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).