[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C22H24F3N7O2 — CID 134276028

IUPAC[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1cnc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)ccnc2c1
InChIInChI=1S/C22H24F3N7O2/c1-13-11-30(17-3-5-26-16-9-14(34-2)10-27-19(16)17)6-4-15(13)20(33)31-7-8-32-18(12-31)28-29-21(32)22(23,24)25/h3,5,9-10,13,15H,4,6-8,11-12H2,1-2H3/t13-,15+/m1/s1
InChIKeyZMHUCZDFCJSSDO-HIFRSBDPSA-N
MW475.48 g/mol
LogP2.75
Rot. Bonds3

About [(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 134276028) has the molecular formula C22H24F3N7O2 and a molecular weight of 475.48 g/mol. Its IUPAC name is [(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID134276028
Molecular FormulaC22H24F3N7O2
Molecular Weight475.48 g/mol
Exact Mass475.19
IUPAC Name[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1cnc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)ccnc2c1
InChIInChI=1S/C22H24F3N7O2/c1-13-11-30(17-3-5-26-16-9-14(34-2)10-27-19(16)17)6-4-15(13)20(33)31-7-8-32-18(12-31)28-29-21(32)22(23,24)25/h3,5,9-10,13,15H,4,6-8,11-12H2,1-2H3/t13-,15+/m1/s1
InChIKeyZMHUCZDFCJSSDO-HIFRSBDPSA-N
XLogP2.75
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 134276028) is [(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is COc1cnc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)ccnc2c1.
What is the InChIKey of [(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is ZMHUCZDFCJSSDO-HIFRSBDPSA-N. The full InChI is InChI=1S/C22H24F3N7O2/c1-13-11-30(17-3-5-26-16-9-14(34-2)10-27-19(16)17)6-4-15(13)20(33)31-7-8-32-18(12-31)28-29-21(32)22(23,24)25/h3,5,9-10,13,15H,4,6-8,11-12H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of [(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 475.48 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 134276028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).