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

C17H15F2N5O2 — CID 87050084

IUPAC(3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCc1noc(-c2nn(C)c3c2CN(C(=O)c2ccc(F)c(F)c2)CC3)n1
InChIInChI=1S/C17H15F2N5O2/c1-9-20-16(26-22-9)15-11-8-24(6-5-14(11)23(2)21-15)17(25)10-3-4-12(18)13(19)7-10/h3-4,7H,5-6,8H2,1-2H3
InChIKeyJJOVPTWXZLYHLT-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.26
Rot. Bonds2

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

(3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 87050084) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID87050084
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC Name(3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCc1noc(-c2nn(C)c3c2CN(C(=O)c2ccc(F)c(F)c2)CC3)n1
InChIInChI=1S/C17H15F2N5O2/c1-9-20-16(26-22-9)15-11-8-24(6-5-14(11)23(2)21-15)17(25)10-3-4-12(18)13(19)7-10/h3-4,7H,5-6,8H2,1-2H3
InChIKeyJJOVPTWXZLYHLT-UHFFFAOYSA-N
XLogP2.26
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone
CID 83275772
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone
CID 83275717
(4-chlorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53018544
[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
CID 83275681
[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 87050083
N-(4-chlorophenyl)-1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018812
2-(4-fluorophenyl)-1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 53018514
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylphenyl)methanone
CID 53018570
(4-chlorophenyl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53018526
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-fluorophenyl)methanone
CID 53018534
1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 53018518
(2S)-2-(4-chlorophenoxy)-1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 95052969

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 87050084) is (3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is Cc1noc(-c2nn(C)c3c2CN(C(=O)c2ccc(F)c(F)c2)CC3)n1.
What is the InChIKey of (3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is JJOVPTWXZLYHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c1-9-20-16(26-22-9)15-11-8-24(6-5-14(11)23(2)21-15)17(25)10-3-4-12(18)13(19)7-10/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of (3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
(3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 359.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 87050084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).