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

C116H100F8N36S4 — CID 167583245

IUPAC6-[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
SMILESCSc1cc(CN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)ccn1.CSc1ccc(CN2C3CCC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cn1.CSc1ccc(N2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cn1.CSc1cccc(CN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)n1
InChIInChI=1S/C30H27F2N9S.2C29H25F2N9S.C28H23F2N9S/c1-42-28-7-2-19(10-35-28)14-39-24-4-5-25(39)18-38(17-24)27-6-3-20(11-34-27)26-8-21(23-13-37-41(16-23)30(31)32)15-40-29(26)22(9-33)12-36-40;1-41-27-6-18(4-5-33-27)13-38-23-8-24(38)17-37(16-23)26-3-2-19(10-34-26)25-7-20(22-12-36-40(15-22)29(30)31)14-39-28(25)21(9-32)11-35-39;1-41-27-4-2-3-22(36-27)15-38-23-8-24(38)17-37(16-23)26-6-5-18(10-33-26)25-7-19(21-12-35-40(14-21)29(30)31)13-39-28(25)20(9-32)11-34-39;1-40-26-5-3-21(12-33-26)39-22-7-23(39)16-36(15-22)25-4-2-17(9-32-25)24-6-18(20-11-35-38(14-20)28(29)30)13-37-27(24)19(8-31)10-34-37/h2-3,6-8,10-13,15-16,24-25,30H,4-5,14,17-18H2,1H3;2-7,10-12,14-15,23-24,29H,8,13,16-17H2,1H3;2-7,10-14,23-24,29H,8,15-17H2,1H3;2-6,9-14,22-23,28H,7,15-16H2,1H3
InChIKeyHLRMTSPQFWCYLH-UHFFFAOYSA-N
MW2278.58 g/mol
LogP20.82
Rot. Bonds27

About 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

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 (PubChem CID 167583245) has the molecular formula C116H100F8N36S4 and a molecular weight of 2278.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID167583245
Molecular FormulaC116H100F8N36S4
Molecular Weight2278.58 g/mol
Exact Mass2276.77
IUPAC Name6-[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
SMILESCSc1cc(CN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)ccn1.CSc1ccc(CN2C3CCC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cn1.CSc1ccc(N2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cn1.CSc1cccc(CN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)n1
InChIInChI=1S/C30H27F2N9S.2C29H25F2N9S.C28H23F2N9S/c1-42-28-7-2-19(10-35-28)14-39-24-4-5-25(39)18-38(17-24)27-6-3-20(11-34-27)26-8-21(23-13-37-41(16-23)30(31)32)15-40-29(26)22(9-33)12-36-40;1-41-27-6-18(4-5-33-27)13-38-23-8-24(38)17-37(16-23)26-3-2-19(10-34-26)25-7-20(22-12-36-40(15-22)29(30)31)14-39-28(25)21(9-32)11-35-39;1-41-27-4-2-3-22(36-27)15-38-23-8-24(38)17-37(16-23)26-6-5-18(10-33-26)25-7-19(21-12-35-40(14-21)29(30)31)13-39-28(25)20(9-32)11-34-39;1-40-26-5-3-21(12-33-26)39-22-7-23(39)16-36(15-22)25-4-2-17(9-32-25)24-6-18(20-11-35-38(14-20)28(29)30)13-37-27(24)19(8-31)10-34-37/h2-3,6-8,10-13,15-16,24-25,30H,4-5,14,17-18H2,1H3;2-7,10-12,14-15,23-24,29H,8,13,16-17H2,1H3;2-7,10-14,23-24,29H,8,15-17H2,1H3;2-6,9-14,22-23,28H,7,15-16H2,1H3
InChIKeyHLRMTSPQFWCYLH-UHFFFAOYSA-N
XLogP20.82
TPSA364.68 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds27
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002278.58
LogP ≤ 520.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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 155576269
6-[1-(Difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155576274
6-[1-(Difluoromethyl)pyrazol-4-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 155576279
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
CID 155576280
6-[1-(Difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfanyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155576281
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-[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
CID 155576285
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
CID 155576286
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-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156034293
6-[1-(Difluoromethyl)-6-methyl-3-pyridinyl]-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
CID 156034385

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CSc1cc(CN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)ccn1.CSc1ccc(CN2C3CCC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cn1.CSc1ccc(N2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)cn1.CSc1cccc(CN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn2)C3)n1.
What is the InChIKey of 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?
The InChIKey is HLRMTSPQFWCYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N9S.2C29H25F2N9S.C28H23F2N9S/c1-42-28-7-2-19(10-35-28)14-39-24-4-5-25(39)18-38(17-24)27-6-3-20(11-34-27)26-8-21(23-13-37-41(16-23)30(31)32)15-40-29(26)22(9-33)12-36-40;1-41-27-6-18(4-5-33-27)13-38-23-8-24(38)17-37(16-23)26-3-2-19(10-34-26)25-7-20(22-12-36-40(15-22)29(30)31)14-39-28(25)21(9-32)11-35-39;1-41-27-4-2-3-22(36-27)15-38-23-8-24(38)17-37(16-23)26-6-5-18(10-33-26)25-7-19(21-12-35-40(14-21)29(30)31)13-39-28(25)20(9-32)11-34-39;1-40-26-5-3-21(12-33-26)39-22-7-23(39)16-36(15-22)25-4-2-17(9-32-25)24-6-18(20-11-35-38(14-20)28(29)30)13-37-27(24)19(8-31)10-34-37/h2-3,6-8,10-13,15-16,24-25,30H,4-5,14,17-18H2,1H3;2-7,10-12,14-15,23-24,29H,8,13,16-17H2,1H3;2-7,10-14,23-24,29H,8,15-17H2,1H3;2-6,9-14,22-23,28H,7,15-16H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2278.58 g/mol, XLogP of 20.82, 27 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167583245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).