2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

C29H25F4N7O5 — CID 85471943

IUPAC2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC(C)(C)c4ncon4)c3)cc12
InChIInChI=1S/C29H25F4N7O5/c1-28(2,27-37-13-44-40-27)39-23(41)19-9-15(11-35-25(19)43-4)17-10-18-20(24(42)34-3)21(14-5-7-16(30)8-6-14)45-26(18)38-22(17)36-12-29(31,32)33/h5-11,13H,12H2,1-4H3,(H,34,42)(H,36,38)(H,39,41)
InChIKeyYIRZMFKZKKQVFW-UHFFFAOYSA-N
MW627.56 g/mol
LogP5.09
Rot. Bonds9

About 2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 85471943) has the molecular formula C29H25F4N7O5 and a molecular weight of 627.56 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
PubChem CID85471943
Molecular FormulaC29H25F4N7O5
Molecular Weight627.56 g/mol
Exact Mass627.19
IUPAC Name2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC(C)(C)c4ncon4)c3)cc12
InChIInChI=1S/C29H25F4N7O5/c1-28(2,27-37-13-44-40-27)39-23(41)19-9-15(11-35-25(19)43-4)17-10-18-20(24(42)34-3)21(14-5-7-16(30)8-6-14)45-26(18)38-22(17)36-12-29(31,32)33/h5-11,13H,12H2,1-4H3,(H,34,42)(H,36,38)(H,39,41)
InChIKeyYIRZMFKZKKQVFW-UHFFFAOYSA-N
XLogP5.09
TPSA157.30 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.56
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-(trideuteriomethoxy)pyridin-3-yl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 85471549
5-(3-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl)carbamoyl)phenyl)-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 85472072
5-[3-(Tert-Butylcarbamoyl)phenyl]-6-(Ethylamino)-2-(4-Fluorophenyl)-N-Methylfuro[2,3-B]pyridine-3-Carboxamide
CID 124220774
2-(5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 10027534
5-(3-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl)carbamoyl)phenyl)-2-(4-fluorophenyl)-N-methyl-6-((2,2,2-trifluoroethyl)amino)furo[2,3-b]pyridine-3-carboxamide
CID 85471415
2-(4-fluorophenyl)-N-methyl-5-[5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)pyridin-3-yl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 85471810
2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxypyridin-3-yl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 85471812
5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridin-5-yl]-2-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 85471942
5-(3-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl)carbamoyl)-4-fluorophenyl)-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 85473091
5-(3-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl)carbamoyl)-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 85473215
2-(4-fluorophenyl)-N-methyl-5-(3-((2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl)carbamoyl)phenyl)-6-((2,2,2-trifluoroethyl)amino)furo[2,3-b]pyridine-3-carboxamide
CID 85473348
2-(4-fluorophenyl)-N-methyl-5-(3-((1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl)carbamoyl)phenyl)-6-((2,2,2-trifluoroethyl)amino)furo[2,3-b]pyridine-3-carboxamide
CID 85473349

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (CID 85471943) is 2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC(C)(C)c4ncon4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is YIRZMFKZKKQVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F4N7O5/c1-28(2,27-37-13-44-40-27)39-23(41)19-9-15(11-35-25(19)43-4)17-10-18-20(24(42)34-3)21(14-5-7-16(30)8-6-14)45-26(18)38-22(17)36-12-29(31,32)33/h5-11,13H,12H2,1-4H3,(H,34,42)(H,36,38)(H,39,41).
What are the key properties of 2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 627.56 g/mol, XLogP of 5.09, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[6-methoxy-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 85471943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).