N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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

C86H77F4N15O12 — CID 160677781

About N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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 160677781) has the molecular formula C86H77F4N15O12 and a molecular weight of 1588.65 g/mol. Its IUPAC name is N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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: 160677781
• Molecular Formula: C86H77F4N15O12
• Molecular Weight: 1588.65 g/mol
• Exact Mass: 1587.58
• IUPAC Name: N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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: CC(Oc1ccc(-c2cc(NC(=O)C3CC3)ccn2)cc1C#N)C(F)(F)F.Cc1ncc(C(=O)N2CC[C@H](Oc3ccc(-c4cc(NC(=O)C5CC5)ccn4)cc3C#N)[C@H](F)C2)o1.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
• InChI: InChI=1S/C26H24FN5O4.C25H24N4O4.C19H16F3N3O2.C16H13N3O2/c1-15-30-13-24(35-15)26(34)32-9-7-23(20(27)14-32)36-22-5-4-17(10-18(22)12-28)21-11-19(6-8-29-21)31-25(33)16-2-3-16;1-15-27-25(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;1-11(19(20,21)22)27-17-5-4-13(8-14(17)10-23)16-9-15(6-7-24-16)25-18(26)12-2-3-12;17-9-12-7-11(3-4-15(12)20)14-8-13(5-6-18-14)19-16(21)10-1-2-10/h4-6,8,10-11,13,16,20,23H,2-3,7,9,14H2,1H3,(H,29,31,33);2-6,11-12,20-22H,7-10,13H2,1H3,(H,28,30);4-9,11-12H,2-3H2,1H3,(H,24,25,26);3-8,10,20H,1-2H2,(H,18,19,21)/t20-,23+;21-,22-;;/m11../s1
• InChIKey: RNTBCHPURRLKGM-IODADENZSA-N
• XLogP: 15.09
• TPSA: 392.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1588.65
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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 160677781) is N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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 CC(Oc1ccc(-c2cc(NC(=O)C3CC3)ccn2)cc1C#N)C(F)(F)F.Cc1ncc(C(=O)N2CC[C@H](Oc3ccc(-c4cc(NC(=O)C5CC5)ccn4)cc3C#N)[C@H](F)C2)o1.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.

What is the InChIKey of N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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 RNTBCHPURRLKGM-IODADENZSA-N. The full InChI is InChI=1S/C26H24FN5O4.C25H24N4O4.C19H16F3N3O2.C16H13N3O2/c1-15-30-13-24(35-15)26(34)32-9-7-23(20(27)14-32)36-22-5-4-17(10-18(22)12-28)21-11-19(6-8-29-21)31-25(33)16-2-3-16;1-15-27-25(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;1-11(19(20,21)22)27-17-5-4-13(8-14(17)10-23)16-9-15(6-7-24-16)25-18(26)12-2-3-12;17-9-12-7-11(3-4-15(12)20)14-8-13(5-6-18-14)19-16(21)10-1-2-10/h4-6,8,10-11,13,16,20,23H,2-3,7,9,14H2,1H3,(H,29,31,33);2-6,11-12,20-22H,7-10,13H2,1H3,(H,28,30);4-9,11-12H,2-3H2,1H3,(H,24,25,26);3-8,10,20H,1-2H2,(H,18,19,21)/t20-,23+;21-,22-;;/m11../s1.

What are the key properties of N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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 1588.65 g/mol, XLogP of 15.09, 20 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-hydroxyphenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-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 160677781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).