4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C182H175F10N49O5 — CID 165062066

IUPAC4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(C)(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(OC)C5)cn5ncc(C#N)c45)cn2)C3)cn1.Cn1ccc2cc(CN3C4CC3CN(c3ccc(-c5cc(N6CCC(F)(F)C6)cn6ncc(C#N)c56)cn3)C4)cnc21.N#Cc1cnn2cc(N3CCC(F)(F)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4ccc(C(F)(F)F)nc4)nc3)c12.N#Cc1cnn2cc(N3CCC(F)(F)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C=CC5)nc3)c12.N#Cc1cnn2cc(N3CCC(O)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C(F)=CC5)nc3)c12
InChIInChI=1S/C31H29F2N9.C31H28F2N8.C31H29FN8O.2C30H32N8O2.C29H25F5N8/c1-38-6-4-21-8-20(12-36-30(21)38)15-41-25-9-26(41)17-40(16-25)28-3-2-22(13-35-28)27-10-24(39-7-5-31(32,33)19-39)18-42-29(27)23(11-34)14-37-42;32-31(33)6-7-38(19-31)24-10-27(30-23(11-34)14-37-41(30)18-24)22-4-5-29(36-13-22)39-16-25-9-26(17-39)40(25)15-20-8-21-2-1-3-28(21)35-12-20;32-28-2-3-29-27(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;1-39-26-7-8-35(19-26)23-10-27(30-22(11-31)14-34-38(30)18-23)21-4-5-28(32-13-21)36-16-24-9-25(17-36)37(24)15-20-3-6-29(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/h2-4,6,8,10,12-14,18,25-26H,5,7,9,15-17,19H2,1H3;1-2,4-5,8,10,12-14,18,25-26H,3,6-7,9,15-17,19H2;1-2,4,7,9,11-13,17,23-25,41H,3,5-6,8,14-16,18H2;3-6,10,12-14,18,24-25,39H,7-9,15-17,19H2,1-2H3;3-6,10,12-14,18,24-26H,7-9,15-17,19H2,1-2H3;1-4,8,10-12,16,22-23H,5-7,13-15,17H2
InChIKeyRJFGSBMHJCOZAU-UHFFFAOYSA-N
MW3318.72 g/mol
LogP24.01
Rot. Bonds33

About 4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165062066) has the molecular formula C182H175F10N49O5 and a molecular weight of 3318.72 g/mol. Its IUPAC name is 4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID165062066
Molecular FormulaC182H175F10N49O5
Molecular Weight3318.72 g/mol
Exact Mass3316.48
IUPAC Name4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(C)(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(OC)C5)cn5ncc(C#N)c45)cn2)C3)cn1.Cn1ccc2cc(CN3C4CC3CN(c3ccc(-c5cc(N6CCC(F)(F)C6)cn6ncc(C#N)c56)cn3)C4)cnc21.N#Cc1cnn2cc(N3CCC(F)(F)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4ccc(C(F)(F)F)nc4)nc3)c12.N#Cc1cnn2cc(N3CCC(F)(F)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C=CC5)nc3)c12.N#Cc1cnn2cc(N3CCC(O)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C(F)=CC5)nc3)c12
InChIInChI=1S/C31H29F2N9.C31H28F2N8.C31H29FN8O.2C30H32N8O2.C29H25F5N8/c1-38-6-4-21-8-20(12-36-30(21)38)15-41-25-9-26(41)17-40(16-25)28-3-2-22(13-35-28)27-10-24(39-7-5-31(32,33)19-39)18-42-29(27)23(11-34)14-37-42;32-31(33)6-7-38(19-31)24-10-27(30-23(11-34)14-37-41(30)18-24)22-4-5-29(36-13-22)39-16-25-9-26(17-39)40(25)15-20-8-21-2-1-3-28(21)35-12-20;32-28-2-3-29-27(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;1-39-26-7-8-35(19-26)23-10-27(30-22(11-31)14-34-38(30)18-23)21-4-5-28(32-13-21)36-16-24-9-25(17-36)37(24)15-20-3-6-29(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/h2-4,6,8,10,12-14,18,25-26H,5,7,9,15-17,19H2,1H3;1-2,4-5,8,10,12-14,18,25-26H,3,6-7,9,15-17,19H2;1-2,4,7,9,11-13,17,23-25,41H,3,5-6,8,14-16,18H2;3-6,10,12-14,18,24-25,39H,7-9,15-17,19H2,1-2H3;3-6,10,12-14,18,24-26H,7-9,15-17,19H2,1-2H3;1-4,8,10-12,16,22-23H,5-7,13-15,17H2
InChIKeyRJFGSBMHJCOZAU-UHFFFAOYSA-N
XLogP24.01
TPSA532.62 Ų
H-Bond Donors2
H-Bond Acceptors54
Rotatable Bonds33
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003318.72
LogP ≤ 524.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1054

Analyze 4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165062066) is 4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(C)(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(OC)C5)cn5ncc(C#N)c45)cn2)C3)cn1.Cn1ccc2cc(CN3C4CC3CN(c3ccc(-c5cc(N6CCC(F)(F)C6)cn6ncc(C#N)c56)cn3)C4)cnc21.N#Cc1cnn2cc(N3CCC(F)(F)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4ccc(C(F)(F)F)nc4)nc3)c12.N#Cc1cnn2cc(N3CCC(F)(F)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C=CC5)nc3)c12.N#Cc1cnn2cc(N3CCC(O)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C(F)=CC5)nc3)c12.
What is the InChIKey of 4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is RJFGSBMHJCOZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F2N9.C31H28F2N8.C31H29FN8O.2C30H32N8O2.C29H25F5N8/c1-38-6-4-21-8-20(12-36-30(21)38)15-41-25-9-26(41)17-40(16-25)28-3-2-22(13-35-28)27-10-24(39-7-5-31(32,33)19-39)18-42-29(27)23(11-34)14-37-42;32-31(33)6-7-38(19-31)24-10-27(30-23(11-34)14-37-41(30)18-24)22-4-5-29(36-13-22)39-16-25-9-26(17-39)40(25)15-20-8-21-2-1-3-28(21)35-12-20;32-28-2-3-29-27(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;1-39-26-7-8-35(19-26)23-10-27(30-22(11-31)14-34-38(30)18-23)21-4-5-28(32-13-21)36-16-24-9-25(17-36)37(24)15-20-3-6-29(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/h2-4,6,8,10,12-14,18,25-26H,5,7,9,15-17,19H2,1H3;1-2,4-5,8,10,12-14,18,25-26H,3,6-7,9,15-17,19H2;1-2,4,7,9,11-13,17,23-25,41H,3,5-6,8,14-16,18H2;3-6,10,12-14,18,24-25,39H,7-9,15-17,19H2,1-2H3;3-6,10,12-14,18,24-26H,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 4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 3318.72 g/mol, XLogP of 24.01, 33 rotatable bonds, 2 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)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;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165062066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).