[2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate

C32H28F7N3O8 — CID 166667150

IUPAC[2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(NC(=O)COC(C)=O)C(F)(F)F)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C32H28F7N3O8/c1-16(43)48-13-25(44)42-29(31(34,35)36)15-49-27-21(29)12-24(41-26(27)17-3-6-19(33)7-4-17)30(46,32(37,38)39)14-40-28(45)18-5-10-22(23(11-18)47-2)50-20-8-9-20/h3-7,10-12,20,46H,8-9,13-15H2,1-2H3,(H,40,45)(H,42,44)/t29-,30?/m0/s1
InChIKeyUUEDHJUQKVSYSO-UFXYQILXSA-N
MW715.58 g/mol
LogP4.45
Rot. Bonds11

About [2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate

[2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate (PubChem CID 166667150) has the molecular formula C32H28F7N3O8 and a molecular weight of 715.58 g/mol. Its IUPAC name is [2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate
PubChem CID166667150
Molecular FormulaC32H28F7N3O8
Molecular Weight715.58 g/mol
Exact Mass715.18
IUPAC Name[2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(NC(=O)COC(C)=O)C(F)(F)F)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C32H28F7N3O8/c1-16(43)48-13-25(44)42-29(31(34,35)36)15-49-27-21(29)12-24(41-26(27)17-3-6-19(33)7-4-17)30(46,32(37,38)39)14-40-28(45)18-5-10-22(23(11-18)47-2)50-20-8-9-20/h3-7,10-12,20,46H,8-9,13-15H2,1-2H3,(H,40,45)(H,42,44)/t29-,30?/m0/s1
InChIKeyUUEDHJUQKVSYSO-UFXYQILXSA-N
XLogP4.45
TPSA145.31 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500715.58
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate with MolForge

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Related Compounds

N-[(2S)-2-[(3R)-3-azido-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 171406019
4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
CID 167024175
4-cyclopropyloxy-N-[(2S)-2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide
CID 167023911
4-cyclopropyloxy-N-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide
CID 167023910
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 167023976
N-[2-[(3S)-3-amino-3-cyclopropyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
CID 122503025
N-[(2R)-2-[(3S)-3-amino-3-cyclopropyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
CID 122503162
N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide
CID 166680777
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 166688325
N-[2-[(3S)-3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 134323035
N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethylamino)-3-methoxybenzamide
CID 122503296
4-cyclopropyloxy-N-[2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 167023665

Frequently Asked Questions

What is the IUPAC name of [2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate?
The IUPAC name of [2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate (CID 166667150) is [2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate is COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(NC(=O)COC(C)=O)C(F)(F)F)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of [2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate?
The InChIKey is UUEDHJUQKVSYSO-UFXYQILXSA-N. The full InChI is InChI=1S/C32H28F7N3O8/c1-16(43)48-13-25(44)42-29(31(34,35)36)15-49-27-21(29)12-24(41-26(27)17-3-6-19(33)7-4-17)30(46,32(37,38)39)14-40-28(45)18-5-10-22(23(11-18)47-2)50-20-8-9-20/h3-7,10-12,20,46H,8-9,13-15H2,1-2H3,(H,40,45)(H,42,44)/t29-,30?/m0/s1.
What are the key properties of [2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate?
[2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate has a molecular weight of 715.58 g/mol, XLogP of 4.45, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate is sourced from PubChem (CID 166667150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).