3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide

C18H22F3N5O2 — CID 166279969

IUPAC3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide
SMILESCC1CC(n2nnc3c2CN(C(=O)NCCc2cc(C(F)(F)F)co2)CC3)C1
InChIInChI=1S/C18H22F3N5O2/c1-11-6-13(7-11)26-16-9-25(5-3-15(16)23-24-26)17(27)22-4-2-14-8-12(10-28-14)18(19,20)21/h8,10-11,13H,2-7,9H2,1H3,(H,22,27)
InChIKeyUYNPFIRCGPDVEM-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.17
Rot. Bonds4

About 3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide

3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 166279969) has the molecular formula C18H22F3N5O2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide
PubChem CID166279969
Molecular FormulaC18H22F3N5O2
Molecular Weight397.40 g/mol
Exact Mass397.17
IUPAC Name3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide
SMILESCC1CC(n2nnc3c2CN(C(=O)NCCc2cc(C(F)(F)F)co2)CC3)C1
InChIInChI=1S/C18H22F3N5O2/c1-11-6-13(7-11)26-16-9-25(5-3-15(16)23-24-26)17(27)22-4-2-14-8-12(10-28-14)18(19,20)21/h8,10-11,13H,2-7,9H2,1H3,(H,22,27)
InChIKeyUYNPFIRCGPDVEM-UHFFFAOYSA-N
XLogP3.17
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide (CID 166279969) is 3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide is CC1CC(n2nnc3c2CN(C(=O)NCCc2cc(C(F)(F)F)co2)CC3)C1.
What is the InChIKey of 3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is UYNPFIRCGPDVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O2/c1-11-6-13(7-11)26-16-9-25(5-3-15(16)23-24-26)17(27)22-4-2-14-8-12(10-28-14)18(19,20)21/h8,10-11,13H,2-7,9H2,1H3,(H,22,27).
What are the key properties of 3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide?
3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 166279969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).