ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate

C36H33F3N2O5 — CID 144533491

IUPACethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate
SMILESCC.COC(=O)C1(c2ccc(-c3ccc(-c4oc5nc(C(F)(F)F)ccc5c4NC(=O)O[C@H](C)c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C34H27F3N2O5.C2H6/c1-20(21-6-4-3-5-7-21)43-32(41)39-28-26-16-17-27(34(35,36)37)38-30(26)44-29(28)24-10-8-22(9-11-24)23-12-14-25(15-13-23)33(18-19-33)31(40)42-2;1-2/h3-17,20H,18-19H2,1-2H3,(H,39,41);1-2H3/t20-;/m1./s1
InChIKeyHSRANLNYHQRPQQ-VEIFNGETSA-N
MW630.66 g/mol
LogP9.72
Rot. Bonds7

About ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate

ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate (PubChem CID 144533491) has the molecular formula C36H33F3N2O5 and a molecular weight of 630.66 g/mol. Its IUPAC name is ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate
PubChem CID144533491
Molecular FormulaC36H33F3N2O5
Molecular Weight630.66 g/mol
Exact Mass630.23
IUPAC Nameethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate
SMILESCC.COC(=O)C1(c2ccc(-c3ccc(-c4oc5nc(C(F)(F)F)ccc5c4NC(=O)O[C@H](C)c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C34H27F3N2O5.C2H6/c1-20(21-6-4-3-5-7-21)43-32(41)39-28-26-16-17-27(34(35,36)37)38-30(26)44-29(28)24-10-8-22(9-11-24)23-12-14-25(15-13-23)33(18-19-33)31(40)42-2;1-2/h3-17,20H,18-19H2,1-2H3,(H,39,41);1-2H3/t20-;/m1./s1
InChIKeyHSRANLNYHQRPQQ-VEIFNGETSA-N
XLogP9.72
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.66
LogP ≤ 59.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate (CID 144533491) is ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate is CC.COC(=O)C1(c2ccc(-c3ccc(-c4oc5nc(C(F)(F)F)ccc5c4NC(=O)O[C@H](C)c4ccccc4)cc3)cc2)CC1.
What is the InChIKey of ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The InChIKey is HSRANLNYHQRPQQ-VEIFNGETSA-N. The full InChI is InChI=1S/C34H27F3N2O5.C2H6/c1-20(21-6-4-3-5-7-21)43-32(41)39-28-26-16-17-27(34(35,36)37)38-30(26)44-29(28)24-10-8-22(9-11-24)23-12-14-25(15-13-23)33(18-19-33)31(40)42-2;1-2/h3-17,20H,18-19H2,1-2H3,(H,39,41);1-2H3/t20-;/m1./s1.
What are the key properties of ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate has a molecular weight of 630.66 g/mol, XLogP of 9.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 144533491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).