5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole

C21H18FN5O — CID 29149761

IUPAC5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccccc1-c1n[nH]c2c1CN(Cc1nc(-c3ccccc3)no1)CC2
InChIInChI=1S/C21H18FN5O/c22-17-9-5-4-8-15(17)20-16-12-27(11-10-18(16)24-25-20)13-19-23-21(26-28-19)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,24,25)
InChIKeyBPLAGZIJOQPFSB-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.82
Rot. Bonds4

About 5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole

5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 29149761) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID29149761
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccccc1-c1n[nH]c2c1CN(Cc1nc(-c3ccccc3)no1)CC2
InChIInChI=1S/C21H18FN5O/c22-17-9-5-4-8-15(17)20-16-12-27(11-10-18(16)24-25-20)13-19-23-21(26-28-19)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,24,25)
InChIKeyBPLAGZIJOQPFSB-UHFFFAOYSA-N
XLogP3.82
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole 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-fluorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110540065
N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide
CID 42517587
6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 56747042
(6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 95214069
2-methyl-6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947512
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 750957
6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947515
4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 8962629
3-(methoxymethyl)-5-[(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-1,2,4-oxadiazole
CID 154571853
2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 56750876
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 17493708
3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 24917361

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole (CID 29149761) is 5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole is Fc1ccccc1-c1n[nH]c2c1CN(Cc1nc(-c3ccccc3)no1)CC2.
What is the InChIKey of 5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is BPLAGZIJOQPFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c22-17-9-5-4-8-15(17)20-16-12-27(11-10-18(16)24-25-20)13-19-23-21(26-28-19)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,24,25).
What are the key properties of 5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 375.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 29149761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).