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

C19H16FN5O — CID 26399820

IUPAC5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole
SMILESFc1cccc(-c2n[nH]c3c2CN(Cc2ccc4nonc4c2)CC3)c1
InChIInChI=1S/C19H16FN5O/c20-14-3-1-2-13(9-14)19-15-11-25(7-6-16(15)21-22-19)10-12-4-5-17-18(8-12)24-26-23-17/h1-5,8-9H,6-7,10-11H2,(H,21,22)
InChIKeyPVCKROJOGYGKLK-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.31
Rot. Bonds3

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

5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole (PubChem CID 26399820) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole
PubChem CID26399820
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole
SMILESFc1cccc(-c2n[nH]c3c2CN(Cc2ccc4nonc4c2)CC3)c1
InChIInChI=1S/C19H16FN5O/c20-14-3-1-2-13(9-14)19-15-11-25(7-6-16(15)21-22-19)10-12-4-5-17-18(8-12)24-26-23-17/h1-5,8-9H,6-7,10-11H2,(H,21,22)
InChIKeyPVCKROJOGYGKLK-UHFFFAOYSA-N
XLogP3.31
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole?
The IUPAC name of 5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole (CID 26399820) is 5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole is Fc1cccc(-c2n[nH]c3c2CN(Cc2ccc4nonc4c2)CC3)c1.
What is the InChIKey of 5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole?
The InChIKey is PVCKROJOGYGKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c20-14-3-1-2-13(9-14)19-15-11-25(7-6-16(15)21-22-19)10-12-4-5-17-18(8-12)24-26-23-17/h1-5,8-9H,6-7,10-11H2,(H,21,22).
What are the key properties of 5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole?
5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole has a molecular weight of 349.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 26399820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).