5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile

C18H16FN3 — CID 129288724

IUPAC5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile
SMILESCc1cccc(Cc2c(F)cc(C#N)c3[nH]c(C)c(C)c23)n1
InChIInChI=1S/C18H16FN3/c1-10-5-4-6-14(21-10)8-15-16(19)7-13(9-20)18-17(15)11(2)12(3)22-18/h4-7,22H,8H2,1-3H3
InChIKeyURQCIICVYBTGBD-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.09
Rot. Bonds2

About 5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile

5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile (PubChem CID 129288724) has the molecular formula C18H16FN3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile
PubChem CID129288724
Molecular FormulaC18H16FN3
Molecular Weight293.34 g/mol
Exact Mass293.13
IUPAC Name5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile
SMILESCc1cccc(Cc2c(F)cc(C#N)c3[nH]c(C)c(C)c23)n1
InChIInChI=1S/C18H16FN3/c1-10-5-4-6-14(21-10)8-15-16(19)7-13(9-20)18-17(15)11(2)12(3)22-18/h4-7,22H,8H2,1-3H3
InChIKeyURQCIICVYBTGBD-UHFFFAOYSA-N
XLogP4.09
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile?
The IUPAC name of 5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile (CID 129288724) is 5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile.
What is the SMILES notation for 5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile?
The canonical SMILES for 5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile is Cc1cccc(Cc2c(F)cc(C#N)c3[nH]c(C)c(C)c23)n1.
What is the InChIKey of 5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile?
The InChIKey is URQCIICVYBTGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3/c1-10-5-4-6-14(21-10)8-15-16(19)7-13(9-20)18-17(15)11(2)12(3)22-18/h4-7,22H,8H2,1-3H3.
What are the key properties of 5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile?
5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile has a molecular weight of 293.34 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1H-indole-7-carbonitrile is sourced from PubChem (CID 129288724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).