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

C30H26F7N3O7 — CID 156809848

IUPAC4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(NC(=O)CO)C(F)(F)F)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C30H26F7N3O7/c1-45-21-10-16(4-9-20(21)47-18-7-8-18)26(43)38-13-28(44,30(35,36)37)22-11-19-25(24(39-22)15-2-5-17(31)6-3-15)46-14-27(19,29(32,33)34)40-23(42)12-41/h2-6,9-11,18,41,44H,7-8,12-14H2,1H3,(H,38,43)(H,40,42)/t27-,28-/m0/s1
InChIKeyLMASNPVVSXSGQB-NSOVKSMOSA-N
MW673.54 g/mol
LogP3.88
Rot. Bonds10

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

4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide (PubChem CID 156809848) has the molecular formula C30H26F7N3O7 and a molecular weight of 673.54 g/mol. Its IUPAC name is 4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
PubChem CID156809848
Molecular FormulaC30H26F7N3O7
Molecular Weight673.54 g/mol
Exact Mass673.17
IUPAC Name4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(NC(=O)CO)C(F)(F)F)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C30H26F7N3O7/c1-45-21-10-16(4-9-20(21)47-18-7-8-18)26(43)38-13-28(44,30(35,36)37)22-11-19-25(24(39-22)15-2-5-17(31)6-3-15)46-14-27(19,29(32,33)34)40-23(42)12-41/h2-6,9-11,18,41,44H,7-8,12-14H2,1H3,(H,38,43)(H,40,42)/t27-,28-/m0/s1
InChIKeyLMASNPVVSXSGQB-NSOVKSMOSA-N
XLogP3.88
TPSA139.24 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500673.54
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide?
The IUPAC name of 4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide (CID 156809848) is 4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide.
What is the SMILES notation for 4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide?
The canonical SMILES for 4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide is COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(NC(=O)CO)C(F)(F)F)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of 4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide?
The InChIKey is LMASNPVVSXSGQB-NSOVKSMOSA-N. The full InChI is InChI=1S/C30H26F7N3O7/c1-45-21-10-16(4-9-20(21)47-18-7-8-18)26(43)38-13-28(44,30(35,36)37)22-11-19-25(24(39-22)15-2-5-17(31)6-3-15)46-14-27(19,29(32,33)34)40-23(42)12-41/h2-6,9-11,18,41,44H,7-8,12-14H2,1H3,(H,38,43)(H,40,42)/t27-,28-/m0/s1.
What are the key properties of 4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide?
4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide has a molecular weight of 673.54 g/mol, XLogP of 3.88, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-3-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-[(2-hydroxyacetyl)amino]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide is sourced from PubChem (CID 156809848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).