4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide

C30H24F7N5O5 — CID 167023775

IUPAC4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(n2ccnn2)C(F)(F)F)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C30H24F7N5O5/c1-45-22-12-17(4-9-21(22)47-19-7-8-19)26(43)38-14-28(44,30(35,36)37)23-13-20-25(24(40-23)16-2-5-18(31)6-3-16)46-15-27(20,29(32,33)34)42-11-10-39-41-42/h2-6,9-13,19,44H,7-8,14-15H2,1H3,(H,38,43)/t27-,28?/m0/s1
InChIKeyDWWVABDACVWYFI-MBMZGMDYSA-N
MW667.54 g/mol
LogP4.91
Rot. Bonds9

About 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide

4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide (PubChem CID 167023775) has the molecular formula C30H24F7N5O5 and a molecular weight of 667.54 g/mol. Its IUPAC name is 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
PubChem CID167023775
Molecular FormulaC30H24F7N5O5
Molecular Weight667.54 g/mol
Exact Mass667.17
IUPAC Name4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(n2ccnn2)C(F)(F)F)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C30H24F7N5O5/c1-45-22-12-17(4-9-21(22)47-19-7-8-19)26(43)38-14-28(44,30(35,36)37)23-13-20-25(24(40-23)16-2-5-18(31)6-3-16)46-15-27(20,29(32,33)34)42-11-10-39-41-42/h2-6,9-13,19,44H,7-8,14-15H2,1H3,(H,38,43)/t27-,28?/m0/s1
InChIKeyDWWVABDACVWYFI-MBMZGMDYSA-N
XLogP4.91
TPSA120.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500667.54
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide?
The IUPAC name of 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide (CID 167023775) is 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide.
What is the SMILES notation for 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide?
The canonical SMILES for 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide is COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(n2ccnn2)C(F)(F)F)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide?
The InChIKey is DWWVABDACVWYFI-MBMZGMDYSA-N. The full InChI is InChI=1S/C30H24F7N5O5/c1-45-22-12-17(4-9-21(22)47-19-7-8-19)26(43)38-14-28(44,30(35,36)37)23-13-20-25(24(40-23)16-2-5-18(31)6-3-16)46-15-27(20,29(32,33)34)42-11-10-39-41-42/h2-6,9-13,19,44H,7-8,14-15H2,1H3,(H,38,43)/t27-,28?/m0/s1.
What are the key properties of 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide?
4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide has a molecular weight of 667.54 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide is sourced from PubChem (CID 167023775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).