methyl N-[(3R)-5-[(2S)-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]carbamate

C30H26F7N3O7 — CID 156809957

IUPACmethyl N-[(3R)-5-[(2S)-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]carbamate
SMILESCOC(=O)N[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1ccc(OC3CC3)c(OC)c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C30H26F7N3O7/c1-44-21-11-16(5-10-20(21)47-18-8-9-18)25(41)38-13-28(43,30(35,36)37)22-12-19-24(23(39-22)15-3-6-17(31)7-4-15)46-14-27(19,29(32,33)34)40-26(42)45-2/h3-7,10-12,18,43H,8-9,13-14H2,1-2H3,(H,38,41)(H,40,42)/t27-,28-/m0/s1
InChIKeyJJBXUGKMIVPINL-NSOVKSMOSA-N
MW673.54 g/mol
LogP5.12
Rot. Bonds9

About methyl N-[(3R)-5-[(2S)-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]carbamate

methyl N-[(3R)-5-[(2S)-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]carbamate (PubChem CID 156809957) has the molecular formula C30H26F7N3O7 and a molecular weight of 673.54 g/mol. Its IUPAC name is methyl N-[(3R)-5-[(2S)-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]carbamate.

Molecular Properties

Compound Namemethyl N-[(3R)-5-[(2S)-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]carbamate
PubChem CID156809957
Molecular FormulaC30H26F7N3O7
Molecular Weight673.54 g/mol
Exact Mass673.17
IUPAC Namemethyl N-[(3R)-5-[(2S)-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]carbamate
SMILESCOC(=O)N[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1ccc(OC3CC3)c(OC)c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C30H26F7N3O7/c1-44-21-11-16(5-10-20(21)47-18-8-9-18)25(41)38-13-28(43,30(35,36)37)22-12-19-24(23(39-22)15-3-6-17(31)7-4-15)46-14-27(19,29(32,33)34)40-26(42)45-2/h3-7,10-12,18,43H,8-9,13-14H2,1-2H3,(H,38,41)(H,40,42)/t27-,28-/m0/s1
InChIKeyJJBXUGKMIVPINL-NSOVKSMOSA-N
XLogP5.12
TPSA128.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.54
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl N-[(3R)-5-[(2S)-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]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(3R)-5-[(2S)-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]carbamate?
The IUPAC name of methyl N-[(3R)-5-[(2S)-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]carbamate (CID 156809957) is methyl N-[(3R)-5-[(2S)-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]carbamate.
What is the SMILES notation for methyl N-[(3R)-5-[(2S)-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]carbamate?
The canonical SMILES for methyl N-[(3R)-5-[(2S)-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]carbamate is COC(=O)N[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1ccc(OC3CC3)c(OC)c1)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of methyl N-[(3R)-5-[(2S)-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]carbamate?
The InChIKey is JJBXUGKMIVPINL-NSOVKSMOSA-N. The full InChI is InChI=1S/C30H26F7N3O7/c1-44-21-11-16(5-10-20(21)47-18-8-9-18)25(41)38-13-28(43,30(35,36)37)22-12-19-24(23(39-22)15-3-6-17(31)7-4-15)46-14-27(19,29(32,33)34)40-26(42)45-2/h3-7,10-12,18,43H,8-9,13-14H2,1-2H3,(H,38,41)(H,40,42)/t27-,28-/m0/s1.
What are the key properties of methyl N-[(3R)-5-[(2S)-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]carbamate?
methyl N-[(3R)-5-[(2S)-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]carbamate has a molecular weight of 673.54 g/mol, XLogP of 5.12, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3R)-5-[(2S)-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]carbamate is sourced from PubChem (CID 156809957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).