5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C26H23F3N6O3 — CID 162712935

IUPAC5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(CC(F)(F)F)n1
InChIInChI=1S/C26H23F3N6O3/c1-14-8-20(35(34-14)13-26(27,28)29)19-11-31-24(32-19)16-9-15-10-17(2-4-21(15)37-12-16)38-22-6-7-30-25-18(22)3-5-23(36)33-25/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3,(H,31,32)(H,30,33,36)
InChIKeyUPUULNFTHKEPTE-UHFFFAOYSA-N
MW524.50 g/mol
LogP4.93
Rot. Bonds5

About 5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 162712935) has the molecular formula C26H23F3N6O3 and a molecular weight of 524.50 g/mol. Its IUPAC name is 5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID162712935
Molecular FormulaC26H23F3N6O3
Molecular Weight524.50 g/mol
Exact Mass524.18
IUPAC Name5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(CC(F)(F)F)n1
InChIInChI=1S/C26H23F3N6O3/c1-14-8-20(35(34-14)13-26(27,28)29)19-11-31-24(32-19)16-9-15-10-17(2-4-21(15)37-12-16)38-22-6-7-30-25-18(22)3-5-23(36)33-25/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3,(H,31,32)(H,30,33,36)
InChIKeyUPUULNFTHKEPTE-UHFFFAOYSA-N
XLogP4.93
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.50
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 162712935) is 5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is Cc1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(CC(F)(F)F)n1.
What is the InChIKey of 5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is UPUULNFTHKEPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O3/c1-14-8-20(35(34-14)13-26(27,28)29)19-11-31-24(32-19)16-9-15-10-17(2-4-21(15)37-12-16)38-22-6-7-30-25-18(22)3-5-23(36)33-25/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3,(H,31,32)(H,30,33,36).
What are the key properties of 5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 524.50 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 162712935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).