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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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

C185H183F5N50O4 — CID 164959696

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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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(N(C)C)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)N5Cc4cnc5c(c4)C=CC5)nc3)c12.N#Cc1cnn2cc(N3CCC(F)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C=CC5)nc3)c12.N#Cc1cnn2cc(N3CCC(O)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C=CC5)nc3)c12
InChIInChI=1S/C31H29F2N9.C31H28F2N8.C31H29FN8.C31H35N9O.C31H30N8O.C30H32N8O2/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;32-24-6-7-37(16-24)25-10-28(31-23(11-33)14-36-40(31)19-25)22-4-5-30(35-13-22)38-17-26-9-27(18-38)39(26)15-20-8-21-2-1-3-29(21)34-12-20;1-36(2)24-8-9-37(17-24)25-11-28(31-23(12-32)15-35-40(31)20-25)22-5-6-29(33-14-22)38-18-26-10-27(19-38)39(26)16-21-4-7-30(41-3)34-13-21;32-11-23-14-35-39-18-24(36-7-6-27(40)19-36)10-28(31(23)39)22-4-5-30(34-13-22)37-16-25-9-26(17-37)38(25)15-20-8-21-2-1-3-29(21)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/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;1-2,4-5,8,10,12-14,19,24,26-27H,3,6-7,9,15-18H2;4-7,11,13-15,20,24,26-27H,8-10,16-19H2,1-3H3;1-2,4-5,8,10,12-14,18,25-27,40H,3,6-7,9,15-17,19H2;3-6,10,12-14,18,24-26H,7-9,15-17,19H2,1-2H3
InChIKeyBQZHOXQVSRGOEA-UHFFFAOYSA-N
MW3265.83 g/mol
LogP23.15
Rot. Bonds34

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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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 164959696) has the molecular formula C185H183F5N50O4 and a molecular weight of 3265.83 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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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 CID164959696
Molecular FormulaC185H183F5N50O4
Molecular Weight3265.83 g/mol
Exact Mass3263.56
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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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(N(C)C)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)N5Cc4cnc5c(c4)C=CC5)nc3)c12.N#Cc1cnn2cc(N3CCC(F)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C=CC5)nc3)c12.N#Cc1cnn2cc(N3CCC(O)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C=CC5)nc3)c12
InChIInChI=1S/C31H29F2N9.C31H28F2N8.C31H29FN8.C31H35N9O.C31H30N8O.C30H32N8O2/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;32-24-6-7-37(16-24)25-10-28(31-23(11-33)14-36-40(31)19-25)22-4-5-30(35-13-22)38-17-26-9-27(18-38)39(26)15-20-8-21-2-1-3-29(21)34-12-20;1-36(2)24-8-9-37(17-24)25-11-28(31-23(12-32)15-35-40(31)20-25)22-5-6-29(33-14-22)38-18-26-10-27(19-38)39(26)16-21-4-7-30(41-3)34-13-21;32-11-23-14-35-39-18-24(36-7-6-27(40)19-36)10-28(31(23)39)22-4-5-30(34-13-22)37-16-25-9-26(17-37)38(25)15-20-8-21-2-1-3-29(21)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/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;1-2,4-5,8,10,12-14,19,24,26-27H,3,6-7,9,15-18H2;4-7,11,13-15,20,24,26-27H,8-10,16-19H2,1-3H3;1-2,4-5,8,10,12-14,18,25-27,40H,3,6-7,9,15-17,19H2;3-6,10,12-14,18,24-26H,7-9,15-17,19H2,1-2H3
InChIKeyBQZHOXQVSRGOEA-UHFFFAOYSA-N
XLogP23.15
TPSA515.63 Ų
H-Bond Donors1
H-Bond Acceptors54
Rotatable Bonds34
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003265.83
LogP ≤ 523.15
H-Bond Donors ≤ 51
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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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 164959696) 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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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(N(C)C)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)N5Cc4cnc5c(c4)C=CC5)nc3)c12.N#Cc1cnn2cc(N3CCC(F)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C=CC5)nc3)c12.N#Cc1cnn2cc(N3CCC(O)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C=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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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 BQZHOXQVSRGOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F2N9.C31H28F2N8.C31H29FN8.C31H35N9O.C31H30N8O.C30H32N8O2/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;32-24-6-7-37(16-24)25-10-28(31-23(11-33)14-36-40(31)19-25)22-4-5-30(35-13-22)38-17-26-9-27(18-38)39(26)15-20-8-21-2-1-3-29(21)34-12-20;1-36(2)24-8-9-37(17-24)25-11-28(31-23(12-32)15-35-40(31)20-25)22-5-6-29(33-14-22)38-18-26-10-27(19-38)39(26)16-21-4-7-30(41-3)34-13-21;32-11-23-14-35-39-18-24(36-7-6-27(40)19-36)10-28(31(23)39)22-4-5-30(34-13-22)37-16-25-9-26(17-37)38(25)15-20-8-21-2-1-3-29(21)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/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;1-2,4-5,8,10,12-14,19,24,26-27H,3,6-7,9,15-18H2;4-7,11,13-15,20,24,26-27H,8-10,16-19H2,1-3H3;1-2,4-5,8,10,12-14,18,25-27,40H,3,6-7,9,15-17,19H2;3-6,10,12-14,18,24-26H,7-9,15-17,19H2,1-2H3.
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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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 3265.83 g/mol, XLogP of 23.15, 34 rotatable bonds, 1 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;4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(3-fluoropyrrolidin-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-hydroxypyrrolidin-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-(dimethylamino)pyrrolidin-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 164959696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).