2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol

C28H31FN4O — CID 143887553

IUPAC2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol
SMILESC=C(NCc1ccc(C)cc1)c1cc(C(C)(C)NCCO)cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C28H31FN4O/c1-19-5-7-21(8-6-19)17-30-20(2)25-15-22(28(3,4)31-13-14-34)16-27-26(25)18-32-33(27)24-11-9-23(29)10-12-24/h5-12,15-16,18,30-31,34H,2,13-14,17H2,1,3-4H3
InChIKeyIZXRCOHLVPEMCI-UHFFFAOYSA-N
MW458.58 g/mol
LogP5.05
Rot. Bonds9

About 2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol

2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol (PubChem CID 143887553) has the molecular formula C28H31FN4O and a molecular weight of 458.58 g/mol. Its IUPAC name is 2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol
PubChem CID143887553
Molecular FormulaC28H31FN4O
Molecular Weight458.58 g/mol
Exact Mass458.25
IUPAC Name2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol
SMILESC=C(NCc1ccc(C)cc1)c1cc(C(C)(C)NCCO)cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C28H31FN4O/c1-19-5-7-21(8-6-19)17-30-20(2)25-15-22(28(3,4)31-13-14-34)16-27-26(25)18-32-33(27)24-11-9-23(29)10-12-24/h5-12,15-16,18,30-31,34H,2,13-14,17H2,1,3-4H3
InChIKeyIZXRCOHLVPEMCI-UHFFFAOYSA-N
XLogP5.05
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol with MolForge

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Related Compounds

N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]acetamide
CID 73346217
(2S)-3-hydroxy-2-methyl-2-[[3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 151981286
US11787780, Example 32
CID 163589853
US11787780, Example 20
CID 166917319
2-[[2-(2-Methyl-3-phenylphenyl)pyrazolo[1,5-a]pyridin-6-yl]methylamino]ethanol
CID 155510671
1-(3-Phenyl-4,5-dihydropyrazolo[4,3-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol
CID 657717
(2R)-1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol
CID 1070501
1-(4-Fluorophenyl)-5-(2-methylphenyl)indazole
CID 46830797
6-(2-Fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole
CID 162646523
US11787780, Example 31
CID 163712867
US11718605, Example 11
CID 134177910
1-({[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)propan-2-ol
CID 16191963

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol?
The IUPAC name of 2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol (CID 143887553) is 2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol?
The canonical SMILES for 2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol is C=C(NCc1ccc(C)cc1)c1cc(C(C)(C)NCCO)cc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol?
The InChIKey is IZXRCOHLVPEMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O/c1-19-5-7-21(8-6-19)17-30-20(2)25-15-22(28(3,4)31-13-14-34)16-27-26(25)18-32-33(27)24-11-9-23(29)10-12-24/h5-12,15-16,18,30-31,34H,2,13-14,17H2,1,3-4H3.
What are the key properties of 2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol?
2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol has a molecular weight of 458.58 g/mol, XLogP of 5.05, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-fluorophenyl)-4-[1-[(4-methylphenyl)methylamino]ethenyl]indazol-6-yl]propan-2-ylamino]ethanol is sourced from PubChem (CID 143887553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).