(3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]

C21H17F3N4O3 — CID 88980550

IUPAC(3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]
SMILESCn1cc(-c2ccc(OC3=NO[C@]4(CCc5cc(OC(F)(F)F)ccc54)C3)cn2)cn1
InChIInChI=1S/C21H17F3N4O3/c1-28-12-14(10-26-28)18-5-3-16(11-25-18)29-19-9-20(31-27-19)7-6-13-8-15(2-4-17(13)20)30-21(22,23)24/h2-5,8,10-12H,6-7,9H2,1H3/t20-/m1/s1
InChIKeyJWOKFWPZXBZXRC-HXUWFJFHSA-N
MW430.39 g/mol
LogP4.34
Rot. Bonds3

About (3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]

(3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole] (PubChem CID 88980550) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is (3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole].

Molecular Properties

Compound Name(3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]
PubChem CID88980550
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Name(3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]
SMILESCn1cc(-c2ccc(OC3=NO[C@]4(CCc5cc(OC(F)(F)F)ccc54)C3)cn2)cn1
InChIInChI=1S/C21H17F3N4O3/c1-28-12-14(10-26-28)18-5-3-16(11-25-18)29-19-9-20(31-27-19)7-6-13-8-15(2-4-17(13)20)30-21(22,23)24/h2-5,8,10-12H,6-7,9H2,1H3/t20-/m1/s1
InChIKeyJWOKFWPZXBZXRC-HXUWFJFHSA-N
XLogP4.34
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole] with MolForge

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Related Compounds

(5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole
CID 123388479
5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine
CID 90945123
3-[4-[2-[4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine
CID 167437197
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133488581
3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol
CID 175836404
CID 58148330
CID 58148330
(5S)-3-[[6-(2H-triazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
CID 58126028
2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole
CID 169162789
1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 142602260
(3R)-4-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-3-(trifluoromethyl)pentan-1-one
CID 158621720
5-[chloro(difluoro)methyl]-3-[4-(1-methylpyrazol-4-yl)phenyl]-4H-1,2-oxazol-5-ol
CID 155413951
1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole
CID 134164543

Frequently Asked Questions

What is the IUPAC name of (3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]?
The IUPAC name of (3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole] (CID 88980550) is (3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole].
What is the SMILES notation for (3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]?
The canonical SMILES for (3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole] is Cn1cc(-c2ccc(OC3=NO[C@]4(CCc5cc(OC(F)(F)F)ccc54)C3)cn2)cn1.
What is the InChIKey of (3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]?
The InChIKey is JWOKFWPZXBZXRC-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c1-28-12-14(10-26-28)18-5-3-16(11-25-18)29-19-9-20(31-27-19)7-6-13-8-15(2-4-17(13)20)30-21(22,23)24/h2-5,8,10-12H,6-7,9H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]?
(3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole] has a molecular weight of 430.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole] is sourced from PubChem (CID 88980550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).