3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine

C22H21FN4 — CID 58259489

IUPAC3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]cc(Cc3ccc(CCc4ccncc4C)nc3F)c2c1
InChIInChI=1S/C22H21FN4/c1-14-9-20-18(13-26-22(20)25-11-14)10-17-4-6-19(27-21(17)23)5-3-16-7-8-24-12-15(16)2/h4,6-9,11-13H,3,5,10H2,1-2H3,(H,25,26)
InChIKeyHRDMRHZMUVFYBM-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.48
Rot. Bonds5

About 3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine

3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58259489) has the molecular formula C22H21FN4 and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID58259489
Molecular FormulaC22H21FN4
Molecular Weight360.44 g/mol
Exact Mass360.18
IUPAC Name3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]cc(Cc3ccc(CCc4ccncc4C)nc3F)c2c1
InChIInChI=1S/C22H21FN4/c1-14-9-20-18(13-26-22(20)25-11-14)10-17-4-6-19(27-21(17)23)5-3-16-7-8-24-12-15(16)2/h4,6-9,11-13H,3,5,10H2,1-2H3,(H,25,26)
InChIKeyHRDMRHZMUVFYBM-UHFFFAOYSA-N
XLogP4.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine 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

3-[[2-fluoro-6-[2-(3-fluoro-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58259077
3-[[2-fluoro-6-[2-(3-fluoro-5-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58259168
3-[[2-fluoro-6-[2-[2-(oxan-4-yl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 153130790
N-[(3-chloro-4-pyridinyl)methyl]-6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 67200183
N-[(3-bromo-4-pyridinyl)methyl]-6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 67201828
3-[[2-fluoro-6-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 58259376
3-[[6-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]-2-methyl-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58259383
5-bromo-3-[[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58259215
3-[[2-chloro-6-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58259430
6-fluoro-N-[(2-methyl-4-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 52936254
3-[[2-chloro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58442155
5-chloro-3-[[2-fluoro-6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442210

Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine (CID 58259489) is 3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine is Cc1cnc2[nH]cc(Cc3ccc(CCc4ccncc4C)nc3F)c2c1.
What is the InChIKey of 3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HRDMRHZMUVFYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4/c1-14-9-20-18(13-26-22(20)25-11-14)10-17-4-6-19(27-21(17)23)5-3-16-7-8-24-12-15(16)2/h4,6-9,11-13H,3,5,10H2,1-2H3,(H,25,26).
What are the key properties of 3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 360.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-6-[2-(3-methyl-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58259489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).