N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide

C19H17F5N2O2 — CID 156872756

IUPACN-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide
SMILESCC1(CF)COc2c1cc(C(CNC=O)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C19H17F5N2O2/c1-18(8-20)9-28-17-13(18)6-15(14(7-25-10-27)19(22,23)24)26-16(17)11-2-4-12(21)5-3-11/h2-6,10,14H,7-9H2,1H3,(H,25,27)
InChIKeyMPBKIOMEALJHDF-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.90
Rot. Bonds6

About N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide

N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide (PubChem CID 156872756) has the molecular formula C19H17F5N2O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide.

Molecular Properties

Compound NameN-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide
PubChem CID156872756
Molecular FormulaC19H17F5N2O2
Molecular Weight400.35 g/mol
Exact Mass400.12
IUPAC NameN-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide
SMILESCC1(CF)COc2c1cc(C(CNC=O)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C19H17F5N2O2/c1-18(8-20)9-28-17-13(18)6-15(14(7-25-10-27)19(22,23)24)26-16(17)11-2-4-12(21)5-3-11/h2-6,10,14H,7-9H2,1H3,(H,25,27)
InChIKeyMPBKIOMEALJHDF-UHFFFAOYSA-N
XLogP3.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol
CID 156872788
3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine
CID 156872917
3-amino-1,1,1-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol
CID 166783129
(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-3-(1,3-thiazole-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 169241134
(3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-5-[(2R)-2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine
CID 164990741
N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide
CID 156872961
(3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164910853
(3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164911200
(3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-methyl-1H-indazole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 169241567
(3R)-N-(2-fluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylcinnoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 166782847
N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide
CID 156873029
(3R)-5-[3-[(7-bromo-2-cyclopropyl-3H-benzimidazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164911510

Frequently Asked Questions

What is the IUPAC name of N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide?
The IUPAC name of N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide (CID 156872756) is N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide.
What is the SMILES notation for N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide?
The canonical SMILES for N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide is CC1(CF)COc2c1cc(C(CNC=O)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide?
The InChIKey is MPBKIOMEALJHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N2O2/c1-18(8-20)9-28-17-13(18)6-15(14(7-25-10-27)19(22,23)24)26-16(17)11-2-4-12(21)5-3-11/h2-6,10,14H,7-9H2,1H3,(H,25,27).
What are the key properties of N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide?
N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide has a molecular weight of 400.35 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide is sourced from PubChem (CID 156872756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).