6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C120H108F8N32O5S3 — CID 167675453

IUPAC6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCc1ccccc1CN1C2CC1CN(c1ccc(-c3cc(N4CC(F)(F)C4)cn4ncc(C#N)c34)cn1)C2.CS(=O)(=O)c1ccc(CN2C3CC2CN(c2cnc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cc1.CS(=O)(=O)c1ccc(CN2C3CCC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cc1.CS(=O)c1ccc(CN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cc1
InChIInChI=1S/C31H28F2N8O2S.C30H26F2N8OS.C30H29F2N7.C29H25F2N9O2S/c1-44(42,43)27-7-2-20(3-8-27)15-39-25-5-6-26(39)19-38(18-25)29-9-4-21(12-35-29)28-10-22(24-14-37-41(17-24)31(32)33)16-40-30(28)23(11-34)13-36-40;1-42(41)26-5-2-19(3-6-26)14-38-24-9-25(38)18-37(17-24)28-7-4-20(11-34-28)27-8-21(23-13-36-40(16-23)30(31)32)15-39-29(27)22(10-33)12-35-39;1-2-20-5-3-4-6-22(20)14-38-25-9-26(38)16-36(15-25)28-8-7-21(12-34-28)27-10-24(37-18-30(31,32)19-37)17-39-29(27)23(11-33)13-35-39;1-43(41,42)24-4-2-18(3-5-24)13-38-22-7-23(38)17-37(16-22)27-12-33-26(11-34-27)25-6-19(21-10-36-40(15-21)29(30)31)14-39-28(25)20(8-32)9-35-39/h2-4,7-10,12-14,16-17,25-26,31H,5-6,15,18-19H2,1H3;2-8,11-13,15-16,24-25,30H,9,14,17-18H2,1H3;3-8,10,12-13,17,25-26H,2,9,14-16,18-19H2,1H3;2-6,9-12,14-15,22-23,29H,7,13,16-17H2,1H3
InChIKeyUTBBVTQRTLFLEU-UHFFFAOYSA-N
MW2326.59 g/mol
LogP18.05
Rot. Bonds27

About 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 167675453) has the molecular formula C120H108F8N32O5S3 and a molecular weight of 2326.59 g/mol. Its IUPAC name is 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID167675453
Molecular FormulaC120H108F8N32O5S3
Molecular Weight2326.59 g/mol
Exact Mass2324.82
IUPAC Name6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCc1ccccc1CN1C2CC1CN(c1ccc(-c3cc(N4CC(F)(F)C4)cn4ncc(C#N)c34)cn1)C2.CS(=O)(=O)c1ccc(CN2C3CC2CN(c2cnc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cc1.CS(=O)(=O)c1ccc(CN2C3CCC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cc1.CS(=O)c1ccc(CN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cc1
InChIInChI=1S/C31H28F2N8O2S.C30H26F2N8OS.C30H29F2N7.C29H25F2N9O2S/c1-44(42,43)27-7-2-20(3-8-27)15-39-25-5-6-26(39)19-38(18-25)29-9-4-21(12-35-29)28-10-22(24-14-37-41(17-24)31(32)33)16-40-30(28)23(11-34)13-36-40;1-42(41)26-5-2-19(3-6-26)14-38-24-9-25(38)18-37(17-24)28-7-4-20(11-34-28)27-8-21(23-13-36-40(16-23)30(31)32)15-39-29(27)22(10-33)12-35-39;1-2-20-5-3-4-6-22(20)14-38-25-9-26(38)16-36(15-25)28-8-7-21(12-34-28)27-10-24(37-18-30(31,32)19-37)17-39-29(27)23(11-33)13-35-39;1-43(41,42)24-4-2-18(3-5-24)13-38-22-7-23(38)17-37(16-22)27-12-33-26(11-34-27)25-6-19(21-10-36-40(15-21)29(30)31)14-39-28(25)20(8-32)9-35-39/h2-4,7-10,12-14,16-17,25-26,31H,5-6,15,18-19H2,1H3;2-8,11-13,15-16,24-25,30H,9,14,17-18H2,1H3;3-8,10,12-13,17,25-26H,2,9,14-16,18-19H2,1H3;2-6,9-12,14-15,22-23,29H,7,13,16-17H2,1H3
InChIKeyUTBBVTQRTLFLEU-UHFFFAOYSA-N
XLogP18.05
TPSA396.78 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds27
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002326.59
LogP ≤ 518.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[1-(Difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155576266
4-[6-[6-[(4-Methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155576268
6-[1-(Difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155576272
6-(3,3-Difluoroazetidin-1-yl)-4-[6-[6-[(2-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155576282
6-[1-(Difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155576284
6-(3,3-Difluoroazetidin-1-yl)-4-[6-[6-[(3-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155576290
6-[1-(Difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(6-methylsulfonyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155576294
6-[1-(Difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155576297
6-[1-(Difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(2-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155776121
6-[1-(Difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155776138
6-(3,3-Difluoroazetidin-1-yl)-4-[6-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155776157
6-[1-(Difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(3-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155776163

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 167675453) is 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCc1ccccc1CN1C2CC1CN(c1ccc(-c3cc(N4CC(F)(F)C4)cn4ncc(C#N)c34)cn1)C2.CS(=O)(=O)c1ccc(CN2C3CC2CN(c2cnc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cc1.CS(=O)(=O)c1ccc(CN2C3CCC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cc1.CS(=O)c1ccc(CN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cc1.
What is the InChIKey of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is UTBBVTQRTLFLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N8O2S.C30H26F2N8OS.C30H29F2N7.C29H25F2N9O2S/c1-44(42,43)27-7-2-20(3-8-27)15-39-25-5-6-26(39)19-38(18-25)29-9-4-21(12-35-29)28-10-22(24-14-37-41(17-24)31(32)33)16-40-30(28)23(11-34)13-36-40;1-42(41)26-5-2-19(3-6-26)14-38-24-9-25(38)18-37(17-24)28-7-4-20(11-34-28)27-8-21(23-13-36-40(16-23)30(31)32)15-39-29(27)22(10-33)12-35-39;1-2-20-5-3-4-6-22(20)14-38-25-9-26(38)16-36(15-25)28-8-7-21(12-34-28)27-10-24(37-18-30(31,32)19-37)17-39-29(27)23(11-33)13-35-39;1-43(41,42)24-4-2-18(3-5-24)13-38-22-7-23(38)17-37(16-22)27-12-33-26(11-34-27)25-6-19(21-10-36-40(15-21)29(30)31)14-39-28(25)20(8-32)9-35-39/h2-4,7-10,12-14,16-17,25-26,31H,5-6,15,18-19H2,1H3;2-8,11-13,15-16,24-25,30H,9,14,17-18H2,1H3;3-8,10,12-13,17,25-26H,2,9,14-16,18-19H2,1H3;2-6,9-12,14-15,22-23,29H,7,13,16-17H2,1H3.
What are the key properties of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 2326.59 g/mol, XLogP of 18.05, 27 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(2-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfinylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-[6-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[8-[(4-methylsulfonylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 167675453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).