N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide

C87H82F3N15O14 — CID 157418571

About N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide

N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 157418571) has the molecular formula C87H82F3N15O14 and a molecular weight of 1618.70 g/mol. Its IUPAC name is N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide
• PubChem CID: 157418571
• Molecular Formula: C87H82F3N15O14
• Molecular Weight: 1618.70 g/mol
• Exact Mass: 1617.61
• IUPAC Name: N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide
• SMILES: Cc1noc([C@@H]2C[C@H]2C(=O)Nc2cccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2)n1.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@@H]1CCN(C(=O)CO)CC1(F)F.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@@H]1CCN(C(=O)CO)C[C@H]1F
• InChI: InChI=1S/C25H24N4O4.C23H22F2N4O4.C23H23FN4O4.C16H13N3O2/c1-15-27-25(33-29-15)22-13-21(22)24(30)28-19-4-2-3-16(12-19)17-5-6-23(18(11-17)14-26)32-20-7-9-31-10-8-20;24-23(25)13-29(21(31)12-30)8-6-20(23)33-19-4-3-15(9-16(19)11-26)18-10-17(5-7-27-18)28-22(32)14-1-2-14;24-18-12-28(22(30)13-29)8-6-21(18)32-20-4-3-15(9-16(20)11-25)19-10-17(5-7-26-19)27-23(31)14-1-2-14;17-9-12-7-11(3-4-15(12)20)14-8-13(5-6-18-14)19-16(21)10-1-2-10/h2-6,11-12,20-22H,7-10,13H2,1H3,(H,28,30);3-5,7,9-10,14,20,30H,1-2,6,8,12-13H2,(H,27,28,32);3-5,7,9-10,14,18,21,29H,1-2,6,8,12-13H2,(H,26,27,31);3-8,10,20H,1-2H2,(H,18,19,21)/t21-,22-;20-;18-,21-;/m111./s1
• InChIKey: BPDFBHIZFSUPJY-ZXWBYJDGSA-N
• XLogP: 11.75
• TPSA: 427.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1618.70
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide (CID 157418571) is N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide is Cc1noc([C@@H]2C[C@H]2C(=O)Nc2cccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2)n1.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@@H]1CCN(C(=O)CO)CC1(F)F.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@@H]1CCN(C(=O)CO)C[C@H]1F.

What is the InChIKey of N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?

The InChIKey is BPDFBHIZFSUPJY-ZXWBYJDGSA-N. The full InChI is InChI=1S/C25H24N4O4.C23H22F2N4O4.C23H23FN4O4.C16H13N3O2/c1-15-27-25(33-29-15)22-13-21(22)24(30)28-19-4-2-3-16(12-19)17-5-6-23(18(11-17)14-26)32-20-7-9-31-10-8-20;24-23(25)13-29(21(31)12-30)8-6-20(23)33-19-4-3-15(9-16(19)11-26)18-10-17(5-7-27-18)28-22(32)14-1-2-14;24-18-12-28(22(30)13-29)8-6-21(18)32-20-4-3-15(9-16(20)11-25)19-10-17(5-7-26-19)27-23(31)14-1-2-14;17-9-12-7-11(3-4-15(12)20)14-8-13(5-6-18-14)19-16(21)10-1-2-10/h2-6,11-12,20-22H,7-10,13H2,1H3,(H,28,30);3-5,7,9-10,14,20,30H,1-2,6,8,12-13H2,(H,27,28,32);3-5,7,9-10,14,18,21,29H,1-2,6,8,12-13H2,(H,26,27,31);3-8,10,20H,1-2H2,(H,18,19,21)/t21-,22-;20-;18-,21-;/m111./s1.

What are the key properties of N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?

N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 1618.70 g/mol, XLogP of 11.75, 21 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 157418571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).