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

C20H18F3N5O2 — CID 53018723

IUPAC[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCn1nc(-c2nc(C3CC3)no2)c2c1CCN(C(=O)c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C20H18F3N5O2/c1-27-15-7-8-28(19(29)12-3-2-4-13(9-12)20(21,22)23)10-14(15)16(25-27)18-24-17(26-30-18)11-5-6-11/h2-4,9,11H,5-8,10H2,1H3
InChIKeyZGAARHLSWBCPPS-UHFFFAOYSA-N
MW417.39 g/mol
LogP3.56
Rot. Bonds3

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

[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 53018723) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID53018723
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC Name[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCn1nc(-c2nc(C3CC3)no2)c2c1CCN(C(=O)c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C20H18F3N5O2/c1-27-15-7-8-28(19(29)12-3-2-4-13(9-12)20(21,22)23)10-14(15)16(25-27)18-24-17(26-30-18)11-5-6-11/h2-4,9,11H,5-8,10H2,1H3
InChIKeyZGAARHLSWBCPPS-UHFFFAOYSA-N
XLogP3.56
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-ethyl-5-[5-(1-ethyl-5-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-pyridin-2-one
CID 136147416
1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162663246
5-(1-Benzyl-3-tert-butylpyrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2742654
(5-(1-(3-Methylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637062
(5-(1-(3,5-Dimethylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637065
4-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]butanoic acid
CID 57394720
1-(3-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1-pyrrolidinyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 91915857
5-[1-benzyl-3-(tert-butyl)-1H-pyrazol-5-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 2742608
2-(4-ethylphenyl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372686
tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637001
3-(3-Fluorophenyl)-5-[1-methyl-5-(thiophene-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-1,2,4-oxadiazole
CID 53018607
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

Frequently Asked Questions

What is the IUPAC name of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 53018723) is [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone is Cn1nc(-c2nc(C3CC3)no2)c2c1CCN(C(=O)c1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZGAARHLSWBCPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c1-27-15-7-8-28(19(29)12-3-2-4-13(9-12)20(21,22)23)10-14(15)16(25-27)18-24-17(26-30-18)11-5-6-11/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 417.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 53018723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).