[(3S,4S)-1-(3-chloro-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

C22H23ClF3N7O2 — CID 134276118

IUPAC[(3S,4S)-1-(3-chloro-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)c(Cl)cnc2c1
InChIInChI=1S/C22H23ClF3N7O2/c1-12-10-31(19-15(23)9-27-16-7-13(35-2)8-28-18(16)19)4-3-14(12)20(34)32-5-6-33-17(11-32)29-30-21(33)22(24,25)26/h7-9,12,14H,3-6,10-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyLNCIZZAJIFZGNW-OCCSQVGLSA-N
MW509.92 g/mol
LogP3.41
Rot. Bonds3

About [(3S,4S)-1-(3-chloro-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-(3-chloro-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 134276118) has the molecular formula C22H23ClF3N7O2 and a molecular weight of 509.92 g/mol. Its IUPAC name is [(3S,4S)-1-(3-chloro-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-(3-chloro-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 CID134276118
Molecular FormulaC22H23ClF3N7O2
Molecular Weight509.92 g/mol
Exact Mass509.16
IUPAC Name[(3S,4S)-1-(3-chloro-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)c(Cl)cnc2c1
InChIInChI=1S/C22H23ClF3N7O2/c1-12-10-31(19-15(23)9-27-16-7-13(35-2)8-28-18(16)19)4-3-14(12)20(34)32-5-6-33-17(11-32)29-30-21(33)22(24,25)26/h7-9,12,14H,3-6,10-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyLNCIZZAJIFZGNW-OCCSQVGLSA-N
XLogP3.41
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.92
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(3S,4S)-1-(3-chloro-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-(3-chloro-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-(3-chloro-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 134276118) is [(3S,4S)-1-(3-chloro-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-(3-chloro-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-(3-chloro-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)c(Cl)cnc2c1.
What is the InChIKey of [(3S,4S)-1-(3-chloro-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 LNCIZZAJIFZGNW-OCCSQVGLSA-N. The full InChI is InChI=1S/C22H23ClF3N7O2/c1-12-10-31(19-15(23)9-27-16-7-13(35-2)8-28-18(16)19)4-3-14(12)20(34)32-5-6-33-17(11-32)29-30-21(33)22(24,25)26/h7-9,12,14H,3-6,10-11H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of [(3S,4S)-1-(3-chloro-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-(3-chloro-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 509.92 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-(3-chloro-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 134276118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).