N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine

C22H21FN4 — CID 92607537

IUPACN-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1c(-c2ccc(F)cc2)[nH]c2ncccc12
InChIInChI=1S/C22H21FN4/c1-27(14-10-16-8-12-24-13-9-16)15-20-19-3-2-11-25-22(19)26-21(20)17-4-6-18(23)7-5-17/h2-9,11-13H,10,14-15H2,1H3,(H,25,26)
InChIKeyBMXGJCBJNHFSLR-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.44
Rot. Bonds6

About N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine

N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 92607537) has the molecular formula C22H21FN4 and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine
PubChem CID92607537
Molecular FormulaC22H21FN4
Molecular Weight360.44 g/mol
Exact Mass360.18
IUPAC NameN-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1c(-c2ccc(F)cc2)[nH]c2ncccc12
InChIInChI=1S/C22H21FN4/c1-27(14-10-16-8-12-24-13-9-16)15-20-19-3-2-11-25-22(19)26-21(20)17-4-6-18(23)7-5-17/h2-9,11-13H,10,14-15H2,1H3,(H,25,26)
InChIKeyBMXGJCBJNHFSLR-UHFFFAOYSA-N
XLogP4.44
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine (CID 92607537) is N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine is CN(CCc1ccncc1)Cc1c(-c2ccc(F)cc2)[nH]c2ncccc12.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is BMXGJCBJNHFSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4/c1-27(14-10-16-8-12-24-13-9-16)15-20-19-3-2-11-25-22(19)26-21(20)17-4-6-18(23)7-5-17/h2-9,11-13H,10,14-15H2,1H3,(H,25,26).
What are the key properties of N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 360.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 92607537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).