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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C169H177F6N47O8 — CID 165053121

IUPAC6-(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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOC1CC(CC(=O)C2CCN(c3ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn3)CC2)C1.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.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(N3CCCC3)cc(-c3ccc(N4CCC(C(=O)CCCC(F)(F)F)CC4)nc3)c12
InChIInChI=1S/C29H30N8O2.C29H34N6O2.C28H27F2N9O.C28H28FN9O.C28H29N9O.C27H29F3N6O/c1-39-28-5-2-19(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;1-37-25-12-20(13-25)14-27(36)21-6-10-34(11-7-21)28-5-4-22(17-31-28)26-15-24(33-8-2-3-9-33)19-35-29(26)23(16-30)18-32-35;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;1-38-27-5-4-19(11-32-27)15-36-22-8-23(36)17-35(16-22)26-14-30-25(13-31-26)24-9-21(34-6-2-3-7-34)18-37-28(24)20(10-29)12-33-37;28-27(29,30)9-3-4-24(37)19-7-12-35(13-8-19)25-6-5-20(16-32-25)23-14-22(34-10-1-2-11-34)18-36-26(23)21(15-31)17-33-36/h2-5,9,11-13,17,23-25,38H,6-8,14-16,18H2,1H3;4-5,15,17-21,25H,2-3,6-14H2,1H3;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;4-5,9,11-14,18,22-23H,2-3,6-8,15-17H2,1H3;5-6,14,16-19H,1-4,7-13H2
InChIKeyPZEVEOXFXCEMQA-UHFFFAOYSA-N
MW3108.58 g/mol
LogP22.14
Rot. Bonds38

About 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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165053121) has the molecular formula C169H177F6N47O8 and a molecular weight of 3108.58 g/mol. Its IUPAC name is 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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID165053121
Molecular FormulaC169H177F6N47O8
Molecular Weight3108.58 g/mol
Exact Mass3106.48
IUPAC Name6-(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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOC1CC(CC(=O)C2CCN(c3ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn3)CC2)C1.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.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(N3CCCC3)cc(-c3ccc(N4CCC(C(=O)CCCC(F)(F)F)CC4)nc3)c12
InChIInChI=1S/C29H30N8O2.C29H34N6O2.C28H27F2N9O.C28H28FN9O.C28H29N9O.C27H29F3N6O/c1-39-28-5-2-19(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;1-37-25-12-20(13-25)14-27(36)21-6-10-34(11-7-21)28-5-4-22(17-31-28)26-15-24(33-8-2-3-9-33)19-35-29(26)23(16-30)18-32-35;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;1-38-27-5-4-19(11-32-27)15-36-22-8-23(36)17-35(16-22)26-14-30-25(13-31-26)24-9-21(34-6-2-3-7-34)18-37-28(24)20(10-29)12-33-37;28-27(29,30)9-3-4-24(37)19-7-12-35(13-8-19)25-6-5-20(16-32-25)23-14-22(34-10-1-2-11-34)18-36-26(23)21(15-31)17-33-36/h2-5,9,11-13,17,23-25,38H,6-8,14-16,18H2,1H3;4-5,15,17-21,25H,2-3,6-14H2,1H3;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;4-5,9,11-14,18,22-23H,2-3,6-8,15-17H2,1H3;5-6,14,16-19H,1-4,7-13H2
InChIKeyPZEVEOXFXCEMQA-UHFFFAOYSA-N
XLogP22.14
TPSA566.47 Ų
H-Bond Donors1
H-Bond Acceptors55
Rotatable Bonds38
Heavy Atoms230
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003108.58
LogP ≤ 522.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1055

Analyze 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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-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 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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165053121) is 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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COC1CC(CC(=O)C2CCN(c3ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn3)CC2)C1.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.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(N3CCCC3)cc(-c3ccc(N4CCC(C(=O)CCCC(F)(F)F)CC4)nc3)c12.
What is the InChIKey of 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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is PZEVEOXFXCEMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O2.C29H34N6O2.C28H27F2N9O.C28H28FN9O.C28H29N9O.C27H29F3N6O/c1-39-28-5-2-19(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;1-37-25-12-20(13-25)14-27(36)21-6-10-34(11-7-21)28-5-4-22(17-31-28)26-15-24(33-8-2-3-9-33)19-35-29(26)23(16-30)18-32-35;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;1-38-27-5-4-19(11-32-27)15-36-22-8-23(36)17-35(16-22)26-14-30-25(13-31-26)24-9-21(34-6-2-3-7-34)18-37-28(24)20(10-29)12-33-37;28-27(29,30)9-3-4-24(37)19-7-12-35(13-8-19)25-6-5-20(16-32-25)23-14-22(34-10-1-2-11-34)18-36-26(23)21(15-31)17-33-36/h2-5,9,11-13,17,23-25,38H,6-8,14-16,18H2,1H3;4-5,15,17-21,25H,2-3,6-14H2,1H3;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;4-5,9,11-14,18,22-23H,2-3,6-8,15-17H2,1H3;5-6,14,16-19H,1-4,7-13H2.
What are the key properties of 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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 3108.58 g/mol, XLogP of 22.14, 38 rotatable bonds, 1 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 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-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-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165053121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).