7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile

C24H19FN6O — CID 135333144

IUPAC7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile
SMILESCOc1ccc(F)c2c1cc(C#N)n2CCNc1cc(-c2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C24H19FN6O/c1-32-22-7-6-19(25)24-17(22)10-15(12-26)31(24)9-8-27-23-11-21(29-14-30-23)18-13-28-20-5-3-2-4-16(18)20/h2-7,10-11,13-14,28H,8-9H2,1H3,(H,27,29,30)
InChIKeyHGNNMWWWRHEDJE-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.71
Rot. Bonds6

About 7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile

7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile (PubChem CID 135333144) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is 7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile.

Molecular Properties

Compound Name7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile
PubChem CID135333144
Molecular FormulaC24H19FN6O
Molecular Weight426.46 g/mol
Exact Mass426.16
IUPAC Name7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile
SMILESCOc1ccc(F)c2c1cc(C#N)n2CCNc1cc(-c2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C24H19FN6O/c1-32-22-7-6-19(25)24-17(22)10-15(12-26)31(24)9-8-27-23-11-21(29-14-30-23)18-13-28-20-5-3-2-4-16(18)20/h2-7,10-11,13-14,28H,8-9H2,1H3,(H,27,29,30)
InChIKeyHGNNMWWWRHEDJE-UHFFFAOYSA-N
XLogP4.71
TPSA91.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile?
The IUPAC name of 7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile (CID 135333144) is 7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile.
What is the SMILES notation for 7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile?
The canonical SMILES for 7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile is COc1ccc(F)c2c1cc(C#N)n2CCNc1cc(-c2c[nH]c3ccccc23)ncn1.
What is the InChIKey of 7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile?
The InChIKey is HGNNMWWWRHEDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c1-32-22-7-6-19(25)24-17(22)10-15(12-26)31(24)9-8-27-23-11-21(29-14-30-23)18-13-28-20-5-3-2-4-16(18)20/h2-7,10-11,13-14,28H,8-9H2,1H3,(H,27,29,30).
What are the key properties of 7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile?
7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile has a molecular weight of 426.46 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[2-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]ethyl]-4-methoxyindole-2-carbonitrile is sourced from PubChem (CID 135333144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).