2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile

C20H17FN4O — CID 162749208

IUPAC2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile
SMILESN#Cc1cc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)ccc1F
InChIInChI=1S/C20H17FN4O/c21-18-4-3-14(10-15(18)11-22)20(26)25-8-5-13(6-9-25)17-12-24-19-16(17)2-1-7-23-19/h1-4,7,10,12-13H,5-6,8-9H2,(H,23,24)
InChIKeyJEPPSYGKHZVDPD-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.59
Rot. Bonds2

About 2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile

2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile (PubChem CID 162749208) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile
PubChem CID162749208
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile
SMILESN#Cc1cc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)ccc1F
InChIInChI=1S/C20H17FN4O/c21-18-4-3-14(10-15(18)11-22)20(26)25-8-5-13(6-9-25)17-12-24-19-16(17)2-1-7-23-19/h1-4,7,10,12-13H,5-6,8-9H2,(H,23,24)
InChIKeyJEPPSYGKHZVDPD-UHFFFAOYSA-N
XLogP3.59
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]carbamate
CID 162749416
1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749353
N-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 162749484
(4-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749250
N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 51118955
[4-methoxy-3-(trifluoromethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749408
[4-(methylsulfanylmethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 87010084
isoquinolin-3-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749283
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-1-carbonyl fluoride
CID 89186227
(4-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 136579367
N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 154837916
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133283992

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile (CID 162749208) is 2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile is N#Cc1cc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)ccc1F.
What is the InChIKey of 2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile?
The InChIKey is JEPPSYGKHZVDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-18-4-3-14(10-15(18)11-22)20(26)25-8-5-13(6-9-25)17-12-24-19-16(17)2-1-7-23-19/h1-4,7,10,12-13H,5-6,8-9H2,(H,23,24).
What are the key properties of 2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile?
2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile has a molecular weight of 348.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 162749208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).