(2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

C22H17ClFN5O2 — CID 53018492

IUPAC(2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1c(F)cccc1Cl)C2
InChIInChI=1S/C22H17ClFN5O2/c1-28-17-10-11-29(22(30)18-15(23)8-5-9-16(18)24)12-14(17)19(26-28)21-25-20(27-31-21)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3
InChIKeyVUZAYCGKJCKREX-UHFFFAOYSA-N
MW437.86 g/mol
LogP4.13
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

(2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 53018492) has the molecular formula C22H17ClFN5O2 and a molecular weight of 437.86 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID53018492
Molecular FormulaC22H17ClFN5O2
Molecular Weight437.86 g/mol
Exact Mass437.11
IUPAC Name(2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1c(F)cccc1Cl)C2
InChIInChI=1S/C22H17ClFN5O2/c1-28-17-10-11-29(22(30)18-15(23)8-5-9-16(18)24)12-14(17)19(26-28)21-25-20(27-31-21)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3
InChIKeyVUZAYCGKJCKREX-UHFFFAOYSA-N
XLogP4.13
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.86
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

tert-butyl N-[[5-[1-[(3-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42638064
2-(3-{1-[2-(3-Fluorophenyl)acetyl]piperidin-3-YL}-1,2,4-oxadiazol-5-YL)-6-methyl-4H,5H-pyrazolo[1,5-A]pyrazin-4-one
CID 91891331
2-{3-[1-(2-Fluorobenzoyl)piperidin-3-YL]-1,2,4-oxadiazol-5-YL}-6-methyl-4H,5H-pyrazolo[1,5-A]pyrazin-4-one
CID 91908407
5-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-fluorophenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372901
[5-[1-[(2-Chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637135
[5-[1-[(3-Chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637203
[5-[2-[(3-Chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637204
tert-butyl N-[[5-[1-[(2-chlorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637499
5-[5-(4-Fluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-3-phenyl-1,2,4-oxadiazole
CID 50833984
5-[5-(3-Fluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-3-phenyl-1,2,4-oxadiazole
CID 50833985
5-[5-(2-Fluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-3-phenyl-1,2,4-oxadiazole
CID 50834014
2-(4-Fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-YL)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL]ethan-1-one
CID 53011808

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 53018492) is (2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1c(F)cccc1Cl)C2.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is VUZAYCGKJCKREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O2/c1-28-17-10-11-29(22(30)18-15(23)8-5-9-16(18)24)12-14(17)19(26-28)21-25-20(27-31-21)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
(2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 437.86 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 53018492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).