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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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

C178H179F4N51O6 — CID 165082483

IUPAC4-[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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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(N(C)C)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCC(F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.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/C31H29FN8.C31H35N9O.C31H30N8O.C29H30N8O2.C28H27F2N9O.C28H28FN9O/c32-24-6-7-37(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;1-39-28-5-2-19(11-32-28)14-36-23-8-24(36)16-35(15-23)27-4-3-20(12-31-27)26-9-22(34-7-6-25(38)18-34)17-37-29(26)21(10-30)13-33-37;1-40-26-3-2-18(9-34-26)13-38-21-6-22(38)15-37(14-21)25-12-32-24(11-33-25)23-7-20(36-5-4-28(29,30)17-36)16-39-27(23)19(8-31)10-35-39;1-39-27-3-2-18(9-33-27)13-37-22-6-23(37)16-36(15-22)26-12-31-25(11-32-26)24-7-21(35-5-4-20(29)14-35)17-38-28(24)19(8-30)10-34-38/h1-2,4-5,8,10,12-14,19,24,26-27H,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;2-5,9,11-13,17,23-25,38H,6-8,14-16,18H2,1H3;2-3,7,9-12,16,21-22H,4-6,13-15,17H2,1H3;2-3,7,9-12,17,20,22-23H,4-6,13-16H2,1H3
InChIKeyVITCTYVXXLLZQY-UHFFFAOYSA-N
MW3204.73 g/mol
LogP19.94
Rot. Bonds35

About 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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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-(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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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 165082483) has the molecular formula C178H179F4N51O6 and a molecular weight of 3204.73 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-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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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 Name4-[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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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 CID165082483
Molecular FormulaC178H179F4N51O6
Molecular Weight3204.73 g/mol
Exact Mass3202.52
IUPAC Name4-[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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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(N(C)C)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCC(F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.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/C31H29FN8.C31H35N9O.C31H30N8O.C29H30N8O2.C28H27F2N9O.C28H28FN9O/c32-24-6-7-37(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;1-39-28-5-2-19(11-32-28)14-36-23-8-24(36)16-35(15-23)27-4-3-20(12-31-27)26-9-22(34-7-6-25(38)18-34)17-37-29(26)21(10-30)13-33-37;1-40-26-3-2-18(9-34-26)13-38-21-6-22(38)15-37(14-21)25-12-32-24(11-33-25)23-7-20(36-5-4-28(29,30)17-36)16-39-27(23)19(8-31)10-35-39;1-39-27-3-2-18(9-33-27)13-37-22-6-23(37)16-36(15-22)26-12-31-25(11-32-26)24-7-21(35-5-4-20(29)14-35)17-38-28(24)19(8-30)10-34-38/h1-2,4-5,8,10,12-14,19,24,26-27H,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;2-5,9,11-13,17,23-25,38H,6-8,14-16,18H2,1H3;2-3,7,9-12,16,21-22H,4-6,13-15,17H2,1H3;2-3,7,9-12,17,20,22-23H,4-6,13-16H2,1H3
InChIKeyVITCTYVXXLLZQY-UHFFFAOYSA-N
XLogP19.94
TPSA565.94 Ų
H-Bond Donors2
H-Bond Acceptors57
Rotatable Bonds35
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003204.73
LogP ≤ 519.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1057

Analyze 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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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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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-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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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 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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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 165082483) is 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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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 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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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 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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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(N(C)C)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCC(F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.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-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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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 VITCTYVXXLLZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN8.C31H35N9O.C31H30N8O.C29H30N8O2.C28H27F2N9O.C28H28FN9O/c32-24-6-7-37(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;1-39-28-5-2-19(11-32-28)14-36-23-8-24(36)16-35(15-23)27-4-3-20(12-31-27)26-9-22(34-7-6-25(38)18-34)17-37-29(26)21(10-30)13-33-37;1-40-26-3-2-18(9-34-26)13-38-21-6-22(38)15-37(14-21)25-12-32-24(11-33-25)23-7-20(36-5-4-28(29,30)17-36)16-39-27(23)19(8-31)10-35-39;1-39-27-3-2-18(9-33-27)13-37-22-6-23(37)16-36(15-22)26-12-31-25(11-32-26)24-7-21(35-5-4-20(29)14-35)17-38-28(24)19(8-30)10-34-38/h1-2,4-5,8,10,12-14,19,24,26-27H,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;2-5,9,11-13,17,23-25,38H,6-8,14-16,18H2,1H3;2-3,7,9-12,16,21-22H,4-6,13-15,17H2,1H3;2-3,7,9-12,17,20,22-23H,4-6,13-16H2,1H3.
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-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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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-(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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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 3204.73 g/mol, XLogP of 19.94, 35 rotatable bonds, 2 hydrogen bond donors, and 57 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-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-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]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;6-(3-fluoropyrrolidin-1-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxypyrrolidin-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 165082483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).