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

C18H16F3N5O2S — CID 53018734

IUPAC[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
SMILESCn1nc(-c2nc(C3CC3)no2)c2c1CCN(C(=O)c1ccc(C(F)(F)F)s1)C2
InChIInChI=1S/C18H16F3N5O2S/c1-25-11-6-7-26(17(27)12-4-5-13(29-12)18(19,20)21)8-10(11)14(23-25)16-22-15(24-28-16)9-2-3-9/h4-5,9H,2-3,6-8H2,1H3
InChIKeyOMUNRPOWMNKNHB-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.63
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]-[5-(trifluoromethyl)thiophen-2-yl]methanone

[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone (PubChem CID 53018734) has the molecular formula C18H16F3N5O2S and a molecular weight of 423.42 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]-[5-(trifluoromethyl)thiophen-2-yl]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]-[5-(trifluoromethyl)thiophen-2-yl]methanone
PubChem CID53018734
Molecular FormulaC18H16F3N5O2S
Molecular Weight423.42 g/mol
Exact Mass423.10
IUPAC Name[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
SMILESCn1nc(-c2nc(C3CC3)no2)c2c1CCN(C(=O)c1ccc(C(F)(F)F)s1)C2
InChIInChI=1S/C18H16F3N5O2S/c1-25-11-6-7-26(17(27)12-4-5-13(29-12)18(19,20)21)8-10(11)14(23-25)16-22-15(24-28-16)9-2-3-9/h4-5,9H,2-3,6-8H2,1H3
InChIKeyOMUNRPOWMNKNHB-UHFFFAOYSA-N
XLogP3.63
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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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]-thiophen-2-ylmethanone
CID 83275774
(4-bromophenyl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53018525
[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
(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]-(3,4-difluorophenyl)methanone
CID 83275772
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2,5-difluorophenyl)methanone
CID 83275769
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018845
[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
(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
[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-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone
CID 53018752
(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

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]-[5-(trifluoromethyl)thiophen-2-yl]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]-[5-(trifluoromethyl)thiophen-2-yl]methanone (CID 53018734) is [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(trifluoromethyl)thiophen-2-yl]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]-[5-(trifluoromethyl)thiophen-2-yl]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]-[5-(trifluoromethyl)thiophen-2-yl]methanone is Cn1nc(-c2nc(C3CC3)no2)c2c1CCN(C(=O)c1ccc(C(F)(F)F)s1)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]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The InChIKey is OMUNRPOWMNKNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2S/c1-25-11-6-7-26(17(27)12-4-5-13(29-12)18(19,20)21)8-10(11)14(23-25)16-22-15(24-28-16)9-2-3-9/h4-5,9H,2-3,6-8H2,1H3.
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]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone has a molecular weight of 423.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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]-[5-(trifluoromethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 53018734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).