2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine

C26H26FN7 — CID 23548215

IUPAC2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine
SMILESFc1ccccc1Cn1nc(-c2ncc(N3CC4CC5CCCN5C4C3)cn2)c2cccnc21
InChIInChI=1S/C26H26FN7/c27-22-8-2-1-5-17(22)15-34-26-21(7-3-9-28-26)24(31-34)25-29-12-20(13-30-25)32-14-18-11-19-6-4-10-33(19)23(18)16-32/h1-3,5,7-9,12-13,18-19,23H,4,6,10-11,14-16H2
InChIKeyXLFSIJLDLOGZRV-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.75
Rot. Bonds4

About 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine

2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine (PubChem CID 23548215) has the molecular formula C26H26FN7 and a molecular weight of 455.54 g/mol. Its IUPAC name is 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine.

Molecular Properties

Compound Name2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine
PubChem CID23548215
Molecular FormulaC26H26FN7
Molecular Weight455.54 g/mol
Exact Mass455.22
IUPAC Name2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine
SMILESFc1ccccc1Cn1nc(-c2ncc(N3CC4CC5CCCN5C4C3)cn2)c2cccnc21
InChIInChI=1S/C26H26FN7/c27-22-8-2-1-5-17(22)15-34-26-21(7-3-9-28-26)24(31-34)25-29-12-20(13-30-25)32-14-18-11-19-6-4-10-33(19)23(18)16-32/h1-3,5,7-9,12-13,18-19,23H,4,6,10-11,14-16H2
InChIKeyXLFSIJLDLOGZRV-UHFFFAOYSA-N
XLogP3.75
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine 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

Avapritinib
CID 118023034
Savolitinib
CID 68289010
Pf-05180999
CID 60143346
Adipiplon
CID 11198924
Vactosertib
CID 54766013
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
PF-04981517
CID 71315139
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
(3r)-1-{3-[5-(4-Ethylphenyl)-1-Methyl-1h-Pyrazol-4-Yl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Yl}-N,N-Dimethylpyrrolidin-3-Amine
CID 90654177
US10399985, Example 30
CID 118278101

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine?
The IUPAC name of 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine (CID 23548215) is 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine.
What is the SMILES notation for 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine?
The canonical SMILES for 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine is Fc1ccccc1Cn1nc(-c2ncc(N3CC4CC5CCCN5C4C3)cn2)c2cccnc21.
What is the InChIKey of 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine?
The InChIKey is XLFSIJLDLOGZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7/c27-22-8-2-1-5-17(22)15-34-26-21(7-3-9-28-26)24(31-34)25-29-12-20(13-30-25)32-14-18-11-19-6-4-10-33(19)23(18)16-32/h1-3,5,7-9,12-13,18-19,23H,4,6,10-11,14-16H2.
What are the key properties of 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine?
2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine has a molecular weight of 455.54 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine is sourced from PubChem (CID 23548215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).