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

C19H18F3N5O2 — CID 53018695

IUPAC1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1noc(-c2nn(C)c3c2CN(C(=O)Cc2cccc(C(F)(F)F)c2)CC3)n1
InChIInChI=1S/C19H18F3N5O2/c1-11-23-18(29-25-11)17-14-10-27(7-6-15(14)26(2)24-17)16(28)9-12-4-3-5-13(8-12)19(20,21)22/h3-5,8H,6-7,9-10H2,1-2H3
InChIKeySXTHSDBPDYVERO-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.92
Rot. Bonds3

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

1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 53018695) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID53018695
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1noc(-c2nn(C)c3c2CN(C(=O)Cc2cccc(C(F)(F)F)c2)CC3)n1
InChIInChI=1S/C19H18F3N5O2/c1-11-23-18(29-25-11)17-14-10-27(7-6-15(14)26(2)24-17)16(28)9-12-4-3-5-13(8-12)19(20,21)22/h3-5,8H,6-7,9-10H2,1-2H3
InChIKeySXTHSDBPDYVERO-UHFFFAOYSA-N
XLogP2.92
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 53018695) is 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is Cc1noc(-c2nn(C)c3c2CN(C(=O)Cc2cccc(C(F)(F)F)c2)CC3)n1.
What is the InChIKey of 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is SXTHSDBPDYVERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-11-23-18(29-25-11)17-14-10-27(7-6-15(14)26(2)24-17)16(28)9-12-4-3-5-13(8-12)19(20,21)22/h3-5,8H,6-7,9-10H2,1-2H3.
What are the key properties of 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 405.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 53018695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).