4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile

C127H111F15N22O5 — CID 167547129

IUPAC4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
SMILESCC(F)(F)c1cc(F)c(CC2(C#N)CCN(C(=O)c3cccnc3-c3ccncc3)CC2)c(F)c1.CC(F)(F)c1cc(F)c(CC2(C#N)CCN(C(=O)c3cccnc3-c3ccncn3)CC2)c(F)c1.CC(F)(F)c1ccc(CC2(C#N)CCN(C(=O)c3cccnc3-c3ccncc3)CC2)cc1.C[C@@H](c1ccc(C(C)(F)F)cc1F)C1(C#N)CCN(C(=O)c2cccnc2-c2ccncn2)CC1.N#CC1(Cc2cc(F)ccc2F)CCN(C(=O)c2cccnc2-c2ccncc2)CC1
InChIInChI=1S/C26H22F4N4O.C26H24F3N5O.C26H24F2N4O.C25H21F4N5O.C24H20F2N4O/c1-25(29,30)18-13-21(27)20(22(28)14-18)15-26(16-31)6-11-34(12-7-26)24(35)19-3-2-8-33-23(19)17-4-9-32-10-5-17;1-17(19-6-5-18(14-21(19)27)25(2,28)29)26(15-30)8-12-34(13-9-26)24(35)20-4-3-10-32-23(20)22-7-11-31-16-33-22;1-25(27,28)21-6-4-19(5-7-21)17-26(18-29)10-15-32(16-11-26)24(33)22-3-2-12-31-23(22)20-8-13-30-14-9-20;1-24(28,29)16-11-19(26)18(20(27)12-16)13-25(14-30)5-9-34(10-6-25)23(35)17-3-2-7-32-22(17)21-4-8-31-15-33-21;25-19-3-4-21(26)18(14-19)15-24(16-27)7-12-30(13-8-24)23(31)20-2-1-9-29-22(20)17-5-10-28-11-6-17/h2-5,8-10,13-14H,6-7,11-12,15H2,1H3;3-7,10-11,14,16-17H,8-9,12-13H2,1-2H3;2-9,12-14H,10-11,15-17H2,1H3;2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3;1-6,9-11,14H,7-8,12-13,15H2/t;17-;;;/m.0.../s1
InChIKeyBXXOCZKOHWVVFQ-JKXCFWLASA-N
MW2310.40 g/mol
LogP25.43
Rot. Bonds24

About 4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile

4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile (PubChem CID 167547129) has the molecular formula C127H111F15N22O5 and a molecular weight of 2310.40 g/mol. Its IUPAC name is 4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
PubChem CID167547129
Molecular FormulaC127H111F15N22O5
Molecular Weight2310.40 g/mol
Exact Mass2308.89
IUPAC Name4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
SMILESCC(F)(F)c1cc(F)c(CC2(C#N)CCN(C(=O)c3cccnc3-c3ccncc3)CC2)c(F)c1.CC(F)(F)c1cc(F)c(CC2(C#N)CCN(C(=O)c3cccnc3-c3ccncn3)CC2)c(F)c1.CC(F)(F)c1ccc(CC2(C#N)CCN(C(=O)c3cccnc3-c3ccncc3)CC2)cc1.C[C@@H](c1ccc(C(C)(F)F)cc1F)C1(C#N)CCN(C(=O)c2cccnc2-c2ccncn2)CC1.N#CC1(Cc2cc(F)ccc2F)CCN(C(=O)c2cccnc2-c2ccncc2)CC1
InChIInChI=1S/C26H22F4N4O.C26H24F3N5O.C26H24F2N4O.C25H21F4N5O.C24H20F2N4O/c1-25(29,30)18-13-21(27)20(22(28)14-18)15-26(16-31)6-11-34(12-7-26)24(35)19-3-2-8-33-23(19)17-4-9-32-10-5-17;1-17(19-6-5-18(14-21(19)27)25(2,28)29)26(15-30)8-12-34(13-9-26)24(35)20-4-3-10-32-23(20)22-7-11-31-16-33-22;1-25(27,28)21-6-4-19(5-7-21)17-26(18-29)10-15-32(16-11-26)24(33)22-3-2-12-31-23(22)20-8-13-30-14-9-20;1-24(28,29)16-11-19(26)18(20(27)12-16)13-25(14-30)5-9-34(10-6-25)23(35)17-3-2-7-32-22(17)21-4-8-31-15-33-21;25-19-3-4-21(26)18(14-19)15-24(16-27)7-12-30(13-8-24)23(31)20-2-1-9-29-22(20)17-5-10-28-11-6-17/h2-5,8-10,13-14H,6-7,11-12,15H2,1H3;3-7,10-11,14,16-17H,8-9,12-13H2,1-2H3;2-9,12-14H,10-11,15-17H2,1H3;2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3;1-6,9-11,14H,7-8,12-13,15H2/t;17-;;;/m.0.../s1
InChIKeyBXXOCZKOHWVVFQ-JKXCFWLASA-N
XLogP25.43
TPSA375.18 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms169
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002310.40
LogP ≤ 525.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile (CID 167547129) is 4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile is CC(F)(F)c1cc(F)c(CC2(C#N)CCN(C(=O)c3cccnc3-c3ccncc3)CC2)c(F)c1.CC(F)(F)c1cc(F)c(CC2(C#N)CCN(C(=O)c3cccnc3-c3ccncn3)CC2)c(F)c1.CC(F)(F)c1ccc(CC2(C#N)CCN(C(=O)c3cccnc3-c3ccncc3)CC2)cc1.C[C@@H](c1ccc(C(C)(F)F)cc1F)C1(C#N)CCN(C(=O)c2cccnc2-c2ccncn2)CC1.N#CC1(Cc2cc(F)ccc2F)CCN(C(=O)c2cccnc2-c2ccncc2)CC1.
What is the InChIKey of 4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
The InChIKey is BXXOCZKOHWVVFQ-JKXCFWLASA-N. The full InChI is InChI=1S/C26H22F4N4O.C26H24F3N5O.C26H24F2N4O.C25H21F4N5O.C24H20F2N4O/c1-25(29,30)18-13-21(27)20(22(28)14-18)15-26(16-31)6-11-34(12-7-26)24(35)19-3-2-8-33-23(19)17-4-9-32-10-5-17;1-17(19-6-5-18(14-21(19)27)25(2,28)29)26(15-30)8-12-34(13-9-26)24(35)20-4-3-10-32-23(20)22-7-11-31-16-33-22;1-25(27,28)21-6-4-19(5-7-21)17-26(18-29)10-15-32(16-11-26)24(33)22-3-2-12-31-23(22)20-8-13-30-14-9-20;1-24(28,29)16-11-19(26)18(20(27)12-16)13-25(14-30)5-9-34(10-6-25)23(35)17-3-2-7-32-22(17)21-4-8-31-15-33-21;25-19-3-4-21(26)18(14-19)15-24(16-27)7-12-30(13-8-24)23(31)20-2-1-9-29-22(20)17-5-10-28-11-6-17/h2-5,8-10,13-14H,6-7,11-12,15H2,1H3;3-7,10-11,14,16-17H,8-9,12-13H2,1-2H3;2-9,12-14H,10-11,15-17H2,1H3;2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3;1-6,9-11,14H,7-8,12-13,15H2/t;17-;;;/m.0.../s1.
What are the key properties of 4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile has a molecular weight of 2310.40 g/mol, XLogP of 25.43, 24 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)-2,6-difluorophenyl]methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(2,5-difluorophenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 167547129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).