1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]

C23H23FN4 — CID 131672294

IUPAC1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
SMILESFc1ccc(CN2CCC3(C2)CN(Cc2ccccn2)c2cccnc23)cc1
InChIInChI=1S/C23H23FN4/c24-19-8-6-18(7-9-19)14-27-13-10-23(16-27)17-28(15-20-4-1-2-11-25-20)21-5-3-12-26-22(21)23/h1-9,11-12H,10,13-17H2
InChIKeyVBKMQAQLEJQTML-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.78
Rot. Bonds4

About 1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]

1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] (PubChem CID 131672294) has the molecular formula C23H23FN4 and a molecular weight of 374.46 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine].

Molecular Properties

Compound Name1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
PubChem CID131672294
Molecular FormulaC23H23FN4
Molecular Weight374.46 g/mol
Exact Mass374.19
IUPAC Name1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
SMILESFc1ccc(CN2CCC3(C2)CN(Cc2ccccn2)c2cccnc23)cc1
InChIInChI=1S/C23H23FN4/c24-19-8-6-18(7-9-19)14-27-13-10-23(16-27)17-28(15-20-4-1-2-11-25-20)21-5-3-12-26-22(21)23/h1-9,11-12H,10,13-17H2
InChIKeyVBKMQAQLEJQTML-UHFFFAOYSA-N
XLogP3.78
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] 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

1-benzyl-1'-(furan-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
CID 131669703
(1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone
CID 131679801
1'-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid)
CID 171696011
[1'-[(4-fluorophenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1-yl]-thiophen-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155826070
1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
CID 131669706
(3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 95558835
1'-(cyclopropylmethyl)-1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
CID 131669737
2-[(4-fluorophenyl)methyl]-1'-(pyridin-2-ylmethyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131673759
1-(1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
CID 171693310
4-(4-fluorophenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
CID 171667363
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176506288

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]?
The IUPAC name of 1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] (CID 131672294) is 1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine].
What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]?
The canonical SMILES for 1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] is Fc1ccc(CN2CCC3(C2)CN(Cc2ccccn2)c2cccnc23)cc1.
What is the InChIKey of 1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]?
The InChIKey is VBKMQAQLEJQTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4/c24-19-8-6-18(7-9-19)14-27-13-10-23(16-27)17-28(15-20-4-1-2-11-25-20)21-5-3-12-26-22(21)23/h1-9,11-12H,10,13-17H2.
What are the key properties of 1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]?
1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] has a molecular weight of 374.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine] is sourced from PubChem (CID 131672294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).