N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide

C71H68F4N10O10 — CID 160660377

About N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide

N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 160660377) has the molecular formula C71H68F4N10O10 and a molecular weight of 1297.38 g/mol. Its IUPAC name is N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 160660377
• Molecular Formula: C71H68F4N10O10
• Molecular Weight: 1297.38 g/mol
• Exact Mass: 1296.51
• IUPAC Name: N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide
• SMILES: COCC(=O)N1CC[C@H](Oc2ccc(-c3cccc(NC(=O)[C@H]4C[C@@H]4F)c3)cc2C#N)[C@H](F)C1.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@H]1CCNCC1(F)F.N#Cc1cc(-c2ccnc(NC(=O)C3CC3c3ccco3)c2)ccc1OC1CCOCC1
• InChI: InChI=1S/C25H25F2N3O4.C25H23N3O4.C21H20F2N4O2/c1-33-14-24(31)30-8-7-23(21(27)13-30)34-22-6-5-16(9-17(22)12-28)15-3-2-4-18(10-15)29-25(32)19-11-20(19)26;26-15-18-12-16(3-4-22(18)32-19-6-10-30-11-7-19)17-5-8-27-24(13-17)28-25(29)21-14-20(21)23-2-1-9-31-23;22-21(23)12-25-7-6-19(21)29-18-4-3-14(9-15(18)11-24)17-10-16(5-8-26-17)27-20(28)13-1-2-13/h2-6,9-10,19-21,23H,7-8,11,13-14H2,1H3,(H,29,32);1-5,8-9,12-13,19-21H,6-7,10-11,14H2,(H,27,28,29);3-5,8-10,13,19,25H,1-2,6-7,12H2,(H,26,27,28)/t19-,20-,21+,23-;;19-/m0.0/s1
• InChIKey: RLPCWFUXHOSXIB-BEUVMCFHSA-N
• XLogP: 11.34
• TPSA: 276.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1297.38
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide (CID 160660377) is N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide is COCC(=O)N1CC[C@H](Oc2ccc(-c3cccc(NC(=O)[C@H]4C[C@@H]4F)c3)cc2C#N)[C@H](F)C1.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@H]1CCNCC1(F)F.N#Cc1cc(-c2ccnc(NC(=O)C3CC3c3ccco3)c2)ccc1OC1CCOCC1.

What is the InChIKey of N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is RLPCWFUXHOSXIB-BEUVMCFHSA-N. The full InChI is InChI=1S/C25H25F2N3O4.C25H23N3O4.C21H20F2N4O2/c1-33-14-24(31)30-8-7-23(21(27)13-30)34-22-6-5-16(9-17(22)12-28)15-3-2-4-18(10-15)29-25(32)19-11-20(19)26;26-15-18-12-16(3-4-22(18)32-19-6-10-30-11-7-19)17-5-8-27-24(13-17)28-25(29)21-14-20(21)23-2-1-9-31-23;22-21(23)12-25-7-6-19(21)29-18-4-3-14(9-15(18)11-24)17-10-16(5-8-26-17)27-20(28)13-1-2-13/h2-6,9-10,19-21,23H,7-8,11,13-14H2,1H3,(H,29,32);1-5,8-9,12-13,19-21H,6-7,10-11,14H2,(H,27,28,29);3-5,8-10,13,19,25H,1-2,6-7,12H2,(H,26,27,28)/t19-,20-,21+,23-;;19-/m0.0/s1.

What are the key properties of N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide?

N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 1297.38 g/mol, XLogP of 11.34, 18 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-cyano-4-[(4S)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide;trans-(1R,2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 160660377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).