2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline

Name: 2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₁₇FN₄ — CID 161312669

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline

SMILESNCc1ccc(-c2ccnc3c2CC(c2ccccc2N)=N3)cc1F

InChIInChI=1S/C20H17FN4/c21-17-9-12(5-6-13(17)11-22)14-7-8-24-20-16(14)10-19(25-20)15-3-1-2-4-18(15)23/h1-9H,10-11,22-23H2

InChIKeyLNVSKPOJOJXGNO-UHFFFAOYSA-N

MW332.38 g/mol

LogP3.61

Rot. Bonds3

About 2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline

2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline (PubChem CID 161312669) has the molecular formula C₂₀H₁₇FN₄ and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline.

Molecular Properties

Compound Name	2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline
PubChem CID	161312669
Molecular Formula	C₂₀H₁₇FN₄
Molecular Weight	332.38 g/mol
Exact Mass	332.14
IUPAC Name	2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline
SMILES	NCc1ccc(-c2ccnc3c2CC(c2ccccc2N)=N3)cc1F
InChI	InChI=1S/C20H17FN4/c21-17-9-12(5-6-13(17)11-22)14-7-8-24-20-16(14)10-19(25-20)15-3-1-2-4-18(15)23/h1-9H,10-11,22-23H2
InChIKey	LNVSKPOJOJXGNO-UHFFFAOYSA-N
XLogP	3.61
TPSA	77.29 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.38
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline?

The IUPAC name of 2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline (CID 161312669) is 2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline.

What is the SMILES notation for 2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline?

The canonical SMILES for 2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline is NCc1ccc(-c2ccnc3c2CC(c2ccccc2N)=N3)cc1F.

What is the InChIKey of 2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline?

The InChIKey is LNVSKPOJOJXGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4/c21-17-9-12(5-6-13(17)11-22)14-7-8-24-20-16(14)10-19(25-20)15-3-1-2-4-18(15)23/h1-9H,10-11,22-23H2.

What are the key properties of 2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline?

2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline has a molecular weight of 332.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(aminomethyl)-3-fluorophenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]aniline is sourced from PubChem (CID 161312669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 161312669 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.