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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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

C116H108F6N32O7S4 — CID 167548810

IUPAC6-(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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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
SMILESCC1(O)CN(c2cc(-c3ccc(N4CC5CC(C4)N5Cc4cccc(S(C)(=O)=O)c4)nc3)c3c(C#N)cnn3c2)C1.CS(=O)(=O)c1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.CS(=O)(=O)c1cccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)c1.CSc1ccc(CN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)nc1
InChIInChI=1S/C30H31N7O3S.C29H25F2N9S.C29H27F2N7O2S.C28H25F2N9O2S/c1-30(38)18-35(19-30)23-10-27(29-22(11-31)13-33-37(29)17-23)21-6-7-28(32-12-21)34-15-24-9-25(16-34)36(24)14-20-4-3-5-26(8-20)41(2,39)40;1-41-25-4-3-22(33-12-25)15-38-23-7-24(38)17-37(16-23)27-5-2-18(9-34-27)26-6-19(21-11-36-40(14-21)29(30)31)13-39-28(26)20(8-32)10-35-39;1-41(39,40)25-4-2-3-19(7-25)13-37-23-8-24(37)15-35(14-23)27-6-5-20(11-33-27)26-9-22(36-17-29(30,31)18-36)16-38-28(26)21(10-32)12-34-38;1-42(40,41)26-5-2-19(12-33-26)16-36-6-8-37(9-7-36)25-4-3-20(13-32-25)24-10-21(23-15-35-39(18-23)28(29)30)17-38-27(24)22(11-31)14-34-38/h3-8,10,12-13,17,24-25,38H,9,14-16,18-19H2,1-2H3;2-6,9-14,23-24,29H,7,15-17H2,1H3;2-7,9,11-12,16,23-24H,8,13-15,17-18H2,1H3;2-5,10,12-15,17-18,28H,6-9,16H2,1H3
InChIKeyCDLOWUBBNGMRFI-UHFFFAOYSA-N
MW2304.61 g/mol
LogP15.05
Rot. Bonds26

About 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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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

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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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 (PubChem CID 167548810) has the molecular formula C116H108F6N32O7S4 and a molecular weight of 2304.61 g/mol. Its IUPAC name is 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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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.

Molecular Properties

Compound Name6-(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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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
PubChem CID167548810
Molecular FormulaC116H108F6N32O7S4
Molecular Weight2304.61 g/mol
Exact Mass2302.79
IUPAC Name6-(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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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
SMILESCC1(O)CN(c2cc(-c3ccc(N4CC5CC(C4)N5Cc4cccc(S(C)(=O)=O)c4)nc3)c3c(C#N)cnn3c2)C1.CS(=O)(=O)c1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.CS(=O)(=O)c1cccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)c1.CSc1ccc(CN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)nc1
InChIInChI=1S/C30H31N7O3S.C29H25F2N9S.C29H27F2N7O2S.C28H25F2N9O2S/c1-30(38)18-35(19-30)23-10-27(29-22(11-31)13-33-37(29)17-23)21-6-7-28(32-12-21)34-15-24-9-25(16-34)36(24)14-20-4-3-5-26(8-20)41(2,39)40;1-41-25-4-3-22(33-12-25)15-38-23-7-24(38)17-37(16-23)27-5-2-18(9-34-27)26-6-19(21-11-36-40(14-21)29(30)31)13-39-28(26)20(8-32)10-35-39;1-41(39,40)25-4-2-3-19(7-25)13-37-23-8-24(37)15-35(14-23)27-6-5-20(11-33-27)26-9-22(36-17-29(30,31)18-36)16-38-28(26)21(10-32)12-34-38;1-42(40,41)26-5-2-19(12-33-26)16-36-6-8-37(9-7-36)25-4-3-20(13-32-25)24-10-21(23-15-35-39(18-23)28(29)30)17-38-27(24)22(11-31)14-34-38/h3-8,10,12-13,17,24-25,38H,9,14-16,18-19H2,1-2H3;2-6,9-14,23-24,29H,7,15-17H2,1H3;2-7,9,11-12,16,23-24H,8,13-15,17-18H2,1H3;2-5,10,12-15,17-18,28H,6-9,16H2,1H3
InChIKeyCDLOWUBBNGMRFI-UHFFFAOYSA-N
XLogP15.05
TPSA432.39 Ų
H-Bond Donors1
H-Bond Acceptors40
Rotatable Bonds26
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002304.61
LogP ≤ 515.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1040

Analyze 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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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 with MolForge

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Related Compounds

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-[6-[(3-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155776163
2-[2-(1-Cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine
CID 157441359
8-[(4,4-Difluorocyclohexyl)-phenylmethyl]-5-(3,5-dimethyltriazol-4-yl)-13-(3-methoxyazetidin-1-yl)-10-methylsulfonyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 161748233
6-[1-(Difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-nitrophenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;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 167675334
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
1-[6-[3-cyano-6-[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluoro-3-pyridinyl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-1-ium-3-carbonitrile
CID 175637820
6-(3-Hydroxy-3-methylazetidin-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 156034387
6-(3-Hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167202143
6-[1-(Difluoromethyl)pyrazol-4-yl]-4-[6-[6-(6-methylsulfanyl-3-pyridinyl)-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-[(2-methylsulfanyl-4-pyridinyl)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-[(6-methylsulfanyl-2-pyridinyl)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-[8-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167583245

Frequently Asked Questions

What is the IUPAC name of 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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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?
The IUPAC name of 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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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 167548810) is 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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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.
What is the SMILES notation for 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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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?
The canonical SMILES for 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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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 is CC1(O)CN(c2cc(-c3ccc(N4CC5CC(C4)N5Cc4cccc(S(C)(=O)=O)c4)nc3)c3c(C#N)cnn3c2)C1.CS(=O)(=O)c1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.CS(=O)(=O)c1cccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)c1.CSc1ccc(CN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)nc1.
What is the InChIKey of 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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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?
The InChIKey is CDLOWUBBNGMRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O3S.C29H25F2N9S.C29H27F2N7O2S.C28H25F2N9O2S/c1-30(38)18-35(19-30)23-10-27(29-22(11-31)13-33-37(29)17-23)21-6-7-28(32-12-21)34-15-24-9-25(16-34)36(24)14-20-4-3-5-26(8-20)41(2,39)40;1-41-25-4-3-22(33-12-25)15-38-23-7-24(38)17-37(16-23)27-5-2-18(9-34-27)26-6-19(21-11-36-40(14-21)29(30)31)13-39-28(26)20(8-32)10-35-39;1-41(39,40)25-4-2-3-19(7-25)13-37-23-8-24(37)15-35(14-23)27-6-5-20(11-33-27)26-9-22(36-17-29(30,31)18-36)16-38-28(26)21(10-32)12-34-38;1-42(40,41)26-5-2-19(12-33-26)16-36-6-8-37(9-7-36)25-4-3-20(13-32-25)24-10-21(23-15-35-39(18-23)28(29)30)17-38-27(24)22(11-31)14-34-38/h3-8,10,12-13,17,24-25,38H,9,14-16,18-19H2,1-2H3;2-6,9-14,23-24,29H,7,15-17H2,1H3;2-7,9,11-12,16,23-24H,8,13-15,17-18H2,1H3;2-5,10,12-15,17-18,28H,6-9,16H2,1H3.
What are the key properties of 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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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?
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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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 has a molecular weight of 2304.61 g/mol, XLogP of 15.05, 26 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 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;6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)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-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-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 is sourced from PubChem (CID 167548810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).