(Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde

C21H25FN4O2 — CID 143887581

IUPAC(Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde
SMILESC=O.CN(C)CCCN/C(=C\O)c1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O.CH2O/c1-24(2)12-4-11-22-19(14-26)17-5-3-6-20-18(17)13-23-25(20)16-9-7-15(21)8-10-16;1-2/h3,5-10,13-14,22,26H,4,11-12H2,1-2H3;1H2/b19-14-;
InChIKeyVVZYMIINCBBHQV-YEBWQKSTSA-N
MW384.46 g/mol
LogP3.38
Rot. Bonds7

About (Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde

(Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde (PubChem CID 143887581) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is (Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde.

Molecular Properties

Compound Name(Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde
PubChem CID143887581
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name(Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde
SMILESC=O.CN(C)CCCN/C(=C\O)c1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O.CH2O/c1-24(2)12-4-11-22-19(14-26)17-5-3-6-20-18(17)13-23-25(20)16-9-7-15(21)8-10-16;1-2/h3,5-10,13-14,22,26H,4,11-12H2,1-2H3;1H2/b19-14-;
InChIKeyVVZYMIINCBBHQV-YEBWQKSTSA-N
XLogP3.38
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde
CID 143887583
6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 66917021
1-(4-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]indazole-4-carboxamide
CID 143887681
1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide
CID 143887635
4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one
CID 143887698
N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138813
N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 108995212
N-[3-(dimethylamino)propyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 154799502
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39644068
(Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine
CID 70952330

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde?
The IUPAC name of (Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde (CID 143887581) is (Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde.
What is the SMILES notation for (Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde?
The canonical SMILES for (Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde is C=O.CN(C)CCCN/C(=C\O)c1cccc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of (Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde?
The InChIKey is VVZYMIINCBBHQV-YEBWQKSTSA-N. The full InChI is InChI=1S/C20H23FN4O.CH2O/c1-24(2)12-4-11-22-19(14-26)17-5-3-6-20-18(17)13-23-25(20)16-9-7-15(21)8-10-16;1-2/h3,5-10,13-14,22,26H,4,11-12H2,1-2H3;1H2/b19-14-;.
What are the key properties of (Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde?
(Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde has a molecular weight of 384.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde is sourced from PubChem (CID 143887581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).