4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile

C20H19FN4 — CID 166256256

IUPAC4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(F)c(CN2CCCC(c3c[nH]c4ncccc34)C2)c1
InChIInChI=1S/C20H19FN4/c21-19-6-5-14(10-22)9-16(19)13-25-8-2-3-15(12-25)18-11-24-20-17(18)4-1-7-23-20/h1,4-7,9,11,15H,2-3,8,12-13H2,(H,23,24)
InChIKeyJTAFEAXPOKKGSN-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.95
Rot. Bonds3

About 4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile

4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile (PubChem CID 166256256) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile
PubChem CID166256256
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC Name4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(F)c(CN2CCCC(c3c[nH]c4ncccc34)C2)c1
InChIInChI=1S/C20H19FN4/c21-19-6-5-14(10-22)9-16(19)13-25-8-2-3-15(12-25)18-11-24-20-17(18)4-1-7-23-20/h1,4-7,9,11,15H,2-3,8,12-13H2,(H,23,24)
InChIKeyJTAFEAXPOKKGSN-UHFFFAOYSA-N
XLogP3.95
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile with MolForge

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Related Compounds

Rolodine
CID 5359646
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
PF-06447475
CID 72706840
3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-Pyrrolo[2,3-b]pyridine
CID 6603897
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757
6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
6-Azanyl-4-(3-Methylphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86287744
5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135283800
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 10537176
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
7-Azaindole-3-carbonitrile
CID 10313195
4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyridine
CID 11011717

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile (CID 166256256) is 4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile is N#Cc1ccc(F)c(CN2CCCC(c3c[nH]c4ncccc34)C2)c1.
What is the InChIKey of 4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile?
The InChIKey is JTAFEAXPOKKGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4/c21-19-6-5-14(10-22)9-16(19)13-25-8-2-3-15(12-25)18-11-24-20-17(18)4-1-7-23-20/h1,4-7,9,11,15H,2-3,8,12-13H2,(H,23,24).
What are the key properties of 4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile?
4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile has a molecular weight of 334.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 166256256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).