1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C18H17F3N6O2 — CID 53018815

IUPAC1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1noc(-c2nn(C)c3c2CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC3)n1
InChIInChI=1S/C18H17F3N6O2/c1-10-22-16(29-25-10)15-13-9-27(7-6-14(13)26(2)24-15)17(28)23-12-5-3-4-11(8-12)18(19,20)21/h3-5,8H,6-7,9H2,1-2H3,(H,23,28)
InChIKeyHSWJDJOMPQCUCC-UHFFFAOYSA-N
MW406.37 g/mol
LogP3.39
Rot. Bonds2

About 1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018815) has the molecular formula C18H17F3N6O2 and a molecular weight of 406.37 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018815
Molecular FormulaC18H17F3N6O2
Molecular Weight406.37 g/mol
Exact Mass406.14
IUPAC Name1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1noc(-c2nn(C)c3c2CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC3)n1
InChIInChI=1S/C18H17F3N6O2/c1-10-22-16(29-25-10)15-13-9-27(7-6-14(13)26(2)24-15)17(28)23-12-5-3-4-11(8-12)18(19,20)21/h3-5,8H,6-7,9H2,1-2H3,(H,23,28)
InChIKeyHSWJDJOMPQCUCC-UHFFFAOYSA-N
XLogP3.39
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018815) is 1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1noc(-c2nn(C)c3c2CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC3)n1.
What is the InChIKey of 1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is HSWJDJOMPQCUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O2/c1-10-22-16(29-25-10)15-13-9-27(7-6-14(13)26(2)24-15)17(28)23-12-5-3-4-11(8-12)18(19,20)21/h3-5,8H,6-7,9H2,1-2H3,(H,23,28).
What are the key properties of 1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 406.37 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).