(E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide

C22H17FN4O — CID 155516775

IUPAC(E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1cnc2[nH]cc(-c3ccc(F)cc3)c2c1)NCc1ccncc1
InChIInChI=1S/C22H17FN4O/c23-18-4-2-17(3-5-18)20-14-27-22-19(20)11-16(13-26-22)1-6-21(28)25-12-15-7-9-24-10-8-15/h1-11,13-14H,12H2,(H,25,28)(H,26,27)/b6-1+
InChIKeyLRTIYRKQUQSMML-LZCJLJQNSA-N
MW372.40 g/mol
LogP4.09
Rot. Bonds5

About (E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide

(E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide (PubChem CID 155516775) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is (E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide
PubChem CID155516775
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name(E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1cnc2[nH]cc(-c3ccc(F)cc3)c2c1)NCc1ccncc1
InChIInChI=1S/C22H17FN4O/c23-18-4-2-17(3-5-18)20-14-27-22-19(20)11-16(13-26-22)1-6-21(28)25-12-15-7-9-24-10-8-15/h1-11,13-14H,12H2,(H,25,28)(H,26,27)/b6-1+
InChIKeyLRTIYRKQUQSMML-LZCJLJQNSA-N
XLogP4.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide 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

VX 509
CID 59422203
Y-39983
CID 11507964
Stk16-IN-1
CID 58525066
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
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
Pyrrolopyrimidine, 13c
CID 11996779
3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline
CID 60155996
N-[3-(6-Cyano-9h-Pyrrolo[2,3-B:5,4-C']dipyridin-3-Yl)phenyl]acetamide
CID 68346820
4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 70728319
6-[4-(Piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxamide
CID 73669300
4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
CID 74221357

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide (CID 155516775) is (E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide is O=C(/C=C/c1cnc2[nH]cc(-c3ccc(F)cc3)c2c1)NCc1ccncc1.
What is the InChIKey of (E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide?
The InChIKey is LRTIYRKQUQSMML-LZCJLJQNSA-N. The full InChI is InChI=1S/C22H17FN4O/c23-18-4-2-17(3-5-18)20-14-27-22-19(20)11-16(13-26-22)1-6-21(28)25-12-15-7-9-24-10-8-15/h1-11,13-14H,12H2,(H,25,28)(H,26,27)/b6-1+.
What are the key properties of (E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide?
(E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide has a molecular weight of 372.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 155516775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).