cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide

C25H25F2N3O4 — CID 67282078

IUPACcis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide
SMILESCOCc1nc(C)ncc1OC[C@@]1(c2cc(F)cc(OC)c2)C[C@H]1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H25F2N3O4/c1-15-28-12-23(22(29-15)13-32-2)34-14-25(16-8-18(27)10-20(9-16)33-3)11-21(25)24(31)30-19-6-4-17(26)5-7-19/h4-10,12,21H,11,13-14H2,1-3H3,(H,30,31)/t21-,25+/m0/s1
InChIKeyWRTKQORLWRBSKB-SQJMNOBHSA-N
MW469.49 g/mol
LogP4.19
Rot. Bonds9

About cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide (PubChem CID 67282078) has the molecular formula C25H25F2N3O4 and a molecular weight of 469.49 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide
PubChem CID67282078
Molecular FormulaC25H25F2N3O4
Molecular Weight469.49 g/mol
Exact Mass469.18
IUPAC Namecis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide
SMILESCOCc1nc(C)ncc1OC[C@@]1(c2cc(F)cc(OC)c2)C[C@H]1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H25F2N3O4/c1-15-28-12-23(22(29-15)13-32-2)34-14-25(16-8-18(27)10-20(9-16)33-3)11-21(25)24(31)30-19-6-4-17(26)5-7-19/h4-10,12,21H,11,13-14H2,1-3H3,(H,30,31)/t21-,25+/m0/s1
InChIKeyWRTKQORLWRBSKB-SQJMNOBHSA-N
XLogP4.19
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide 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 cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide (CID 67282078) is cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide is COCc1nc(C)ncc1OC[C@@]1(c2cc(F)cc(OC)c2)C[C@H]1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide?
The InChIKey is WRTKQORLWRBSKB-SQJMNOBHSA-N. The full InChI is InChI=1S/C25H25F2N3O4/c1-15-28-12-23(22(29-15)13-32-2)34-14-25(16-8-18(27)10-20(9-16)33-3)11-21(25)24(31)30-19-6-4-17(26)5-7-19/h4-10,12,21H,11,13-14H2,1-3H3,(H,30,31)/t21-,25+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67282078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).