1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde

C24H23FN4O2 — CID 143887583

IUPAC1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde
SMILESC=C(NCc1ccc(C)nc1)c1cccc2c1cnn2-c1ccc(F)cc1.C=O.C=O
InChIInChI=1S/C22H19FN4.2CH2O/c1-15-6-7-17(12-24-15)13-25-16(2)20-4-3-5-22-21(20)14-26-27(22)19-10-8-18(23)9-11-19;2*1-2/h3-12,14,25H,2,13H2,1H3;2*1H2
InChIKeyUZVKIXUOBBIFAO-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.26
Rot. Bonds5

About 1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde

1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde (PubChem CID 143887583) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde
PubChem CID143887583
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde
SMILESC=C(NCc1ccc(C)nc1)c1cccc2c1cnn2-c1ccc(F)cc1.C=O.C=O
InChIInChI=1S/C22H19FN4.2CH2O/c1-15-6-7-17(12-24-15)13-25-16(2)20-4-3-5-22-21(20)14-26-27(22)19-10-8-18(23)9-11-19;2*1-2/h3-12,14,25H,2,13H2,1H3;2*1H2
InChIKeyUZVKIXUOBBIFAO-UHFFFAOYSA-N
XLogP4.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]indazole-4-carboxamide
CID 143887681
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
4-[1-[(6-bromo-3-pyridinyl)methylamino]ethenyl]-1-(4-fluorophenyl)indazole-6-carbonitrile
CID 143887690
N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane
CID 158165313
1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
(3E)-3-[5-ethenyl-1-(4-fluorophenyl)pyrazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]penta-1,3-dien-2-amine;propane
CID 143965368
1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide
CID 143887635
(Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde
CID 143887581
1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 67308536
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(6-methyl-3-pyridinyl)indazol-4-yl]benzamide
CID 168968152
1-(4-fluorophenyl)-6-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138794

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde?
The IUPAC name of 1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde (CID 143887583) is 1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde.
What is the SMILES notation for 1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde?
The canonical SMILES for 1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde is C=C(NCc1ccc(C)nc1)c1cccc2c1cnn2-c1ccc(F)cc1.C=O.C=O.
What is the InChIKey of 1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde?
The InChIKey is UZVKIXUOBBIFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4.2CH2O/c1-15-6-7-17(12-24-15)13-25-16(2)20-4-3-5-22-21(20)14-26-27(22)19-10-8-18(23)9-11-19;2*1-2/h3-12,14,25H,2,13H2,1H3;2*1H2.
What are the key properties of 1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde?
1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde has a molecular weight of 418.47 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde is sourced from PubChem (CID 143887583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).