2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide

C27H22F4N4O3 — CID 164740641

IUPAC2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
SMILESC[C@]1(n2ccnc2)COc2c1cc([C@@](O)(Cc1ccccc1C(N)=O)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C27H22F4N4O3/c1-25(35-11-10-33-15-35)14-38-23-20(25)12-21(34-22(23)16-6-8-18(28)9-7-16)26(37,27(29,30)31)13-17-4-2-3-5-19(17)24(32)36/h2-12,15,37H,13-14H2,1H3,(H2,32,36)/t25-,26-/m0/s1
InChIKeyGZNQUOVMRVTMSP-UIOOFZCWSA-N
MW526.49 g/mol
LogP4.33
Rot. Bonds6

About 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide

2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide (PubChem CID 164740641) has the molecular formula C27H22F4N4O3 and a molecular weight of 526.49 g/mol. Its IUPAC name is 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
PubChem CID164740641
Molecular FormulaC27H22F4N4O3
Molecular Weight526.49 g/mol
Exact Mass526.16
IUPAC Name2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
SMILESC[C@]1(n2ccnc2)COc2c1cc([C@@](O)(Cc1ccccc1C(N)=O)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C27H22F4N4O3/c1-25(35-11-10-33-15-35)14-38-23-20(25)12-21(34-22(23)16-6-8-18(28)9-7-16)26(37,27(29,30)31)13-17-4-2-3-5-19(17)24(32)36/h2-12,15,37H,13-14H2,1H3,(H2,32,36)/t25-,26-/m0/s1
InChIKeyGZNQUOVMRVTMSP-UIOOFZCWSA-N
XLogP4.33
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide?
The IUPAC name of 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide (CID 164740641) is 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide.
What is the SMILES notation for 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide?
The canonical SMILES for 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide is C[C@]1(n2ccnc2)COc2c1cc([C@@](O)(Cc1ccccc1C(N)=O)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide?
The InChIKey is GZNQUOVMRVTMSP-UIOOFZCWSA-N. The full InChI is InChI=1S/C27H22F4N4O3/c1-25(35-11-10-33-15-35)14-38-23-20(25)12-21(34-22(23)16-6-8-18(28)9-7-16)26(37,27(29,30)31)13-17-4-2-3-5-19(17)24(32)36/h2-12,15,37H,13-14H2,1H3,(H2,32,36)/t25-,26-/m0/s1.
What are the key properties of 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide?
2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide has a molecular weight of 526.49 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide is sourced from PubChem (CID 164740641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).