6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C90H86F6N24O3 — CID 165103322

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(C)(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(N3CCC(F)(F)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4ccc(C(F)(F)F)nc4)nc3)c12.N#Cc1cnn2cc(N3CCC(O)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C(F)=CC5)nc3)c12
InChIInChI=1S/C31H29FN8O.C30H32N8O2.C29H25F5N8/c32-28-2-3-29-27(28)7-19(11-34-29)14-39-23-8-24(39)16-38(15-23)30-4-1-20(12-35-30)26-9-22(37-6-5-25(41)18-37)17-40-31(26)21(10-33)13-36-40;1-30(39)7-8-35(19-30)23-10-26(29-22(11-31)14-34-38(29)18-23)21-4-5-27(32-13-21)36-16-24-9-25(17-36)37(24)15-20-3-6-28(40-2)33-12-20;30-28(31)5-6-39(17-28)21-8-24(27-20(9-35)12-38-42(27)16-21)19-2-4-26(37-11-19)40-14-22-7-23(15-40)41(22)13-18-1-3-25(36-10-18)29(32,33)34/h1-2,4,7,9,11-13,17,23-25,41H,3,5-6,8,14-16,18H2;3-6,10,12-14,18,24-25,39H,7-9,15-17,19H2,1-2H3;1-4,8,10-12,16,22-23H,5-7,13-15,17H2
InChIKeyYSBHOKWYDBTZEN-UHFFFAOYSA-N
MW1665.83 g/mol
LogP11.65
Rot. Bonds16

About 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165103322) has the molecular formula C90H86F6N24O3 and a molecular weight of 1665.83 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)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-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID165103322
Molecular FormulaC90H86F6N24O3
Molecular Weight1665.83 g/mol
Exact Mass1664.72
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(C)(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(N3CCC(F)(F)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4ccc(C(F)(F)F)nc4)nc3)c12.N#Cc1cnn2cc(N3CCC(O)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C(F)=CC5)nc3)c12
InChIInChI=1S/C31H29FN8O.C30H32N8O2.C29H25F5N8/c32-28-2-3-29-27(28)7-19(11-34-29)14-39-23-8-24(39)16-38(15-23)30-4-1-20(12-35-30)26-9-22(37-6-5-25(41)18-37)17-40-31(26)21(10-33)13-36-40;1-30(39)7-8-35(19-30)23-10-26(29-22(11-31)14-34-38(29)18-23)21-4-5-27(32-13-21)36-16-24-9-25(17-36)37(24)15-20-3-6-28(40-2)33-12-20;30-28(31)5-6-39(17-28)21-8-24(27-20(9-35)12-38-42(27)16-21)19-2-4-26(37-11-19)40-14-22-7-23(15-40)41(22)13-18-1-3-25(36-10-18)29(32,33)34/h1-2,4,7,9,11-13,17,23-25,41H,3,5-6,8,14-16,18H2;3-6,10,12-14,18,24-25,39H,7-9,15-17,19H2,1-2H3;1-4,8,10-12,16,22-23H,5-7,13-15,17H2
InChIKeyYSBHOKWYDBTZEN-UHFFFAOYSA-N
XLogP11.65
TPSA279.46 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001665.83
LogP ≤ 511.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)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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4-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155180883
4-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[4-(trideuteriomethyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
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US10023570, Example 700
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US10023570, Example 702
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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)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-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165103322) is 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)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-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)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-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(C)(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(N3CCC(F)(F)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4ccc(C(F)(F)F)nc4)nc3)c12.N#Cc1cnn2cc(N3CCC(O)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C(F)=CC5)nc3)c12.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is YSBHOKWYDBTZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN8O.C30H32N8O2.C29H25F5N8/c32-28-2-3-29-27(28)7-19(11-34-29)14-39-23-8-24(39)16-38(15-23)30-4-1-20(12-35-30)26-9-22(37-6-5-25(41)18-37)17-40-31(26)21(10-33)13-36-40;1-30(39)7-8-35(19-30)23-10-26(29-22(11-31)14-34-38(29)18-23)21-4-5-27(32-13-21)36-16-24-9-25(17-36)37(24)15-20-3-6-28(40-2)33-12-20;30-28(31)5-6-39(17-28)21-8-24(27-20(9-35)12-38-42(27)16-21)19-2-4-26(37-11-19)40-14-22-7-23(15-40)41(22)13-18-1-3-25(36-10-18)29(32,33)34/h1-2,4,7,9,11-13,17,23-25,41H,3,5-6,8,14-16,18H2;3-6,10,12-14,18,24-25,39H,7-9,15-17,19H2,1-2H3;1-4,8,10-12,16,22-23H,5-7,13-15,17H2.
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1665.83 g/mol, XLogP of 11.65, 16 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165103322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).