2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C20H14Cl2F6N4O2 — CID 175876194

IUPAC2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc2c(cn1)CN(C1=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C1)C2
InChIInChI=1S/C20H14Cl2F6N4O2/c21-13-2-12(3-14(22)4-13)18(20(26,27)28)5-16(31-34-18)32-7-10-1-15(29-6-11(10)8-32)17(33)30-9-19(23,24)25/h1-4,6H,5,7-9H2,(H,30,33)
InChIKeyGGGNYECONZAPOJ-UHFFFAOYSA-N
MW527.25 g/mol
LogP5.19
Rot. Bonds3

About 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (PubChem CID 175876194) has the molecular formula C20H14Cl2F6N4O2 and a molecular weight of 527.25 g/mol. Its IUPAC name is 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
PubChem CID175876194
Molecular FormulaC20H14Cl2F6N4O2
Molecular Weight527.25 g/mol
Exact Mass526.04
IUPAC Name2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc2c(cn1)CN(C1=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C1)C2
InChIInChI=1S/C20H14Cl2F6N4O2/c21-13-2-12(3-14(22)4-13)18(20(26,27)28)5-16(31-34-18)32-7-10-1-15(29-6-11(10)8-32)17(33)30-9-19(23,24)25/h1-4,6H,5,7-9H2,(H,30,33)
InChIKeyGGGNYECONZAPOJ-UHFFFAOYSA-N
XLogP5.19
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.25
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?
The IUPAC name of 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CID 175876194) is 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide.
What is the SMILES notation for 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?
The canonical SMILES for 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide is O=C(NCC(F)(F)F)c1cc2c(cn1)CN(C1=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C1)C2.
What is the InChIKey of 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?
The InChIKey is GGGNYECONZAPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F6N4O2/c21-13-2-12(3-14(22)4-13)18(20(26,27)28)5-16(31-34-18)32-7-10-1-15(29-6-11(10)8-32)17(33)30-9-19(23,24)25/h1-4,6H,5,7-9H2,(H,30,33).
What are the key properties of 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?
2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide has a molecular weight of 527.25 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide is sourced from PubChem (CID 175876194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).