About tert-butyl 3-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;tert-butyl 3-[5-[3-cyano-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;5-fluoro-7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile)
tert-butyl 3-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;tert-butyl 3-[5-[3-cyano-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;5-fluoro-7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile) (PubChem CID 165063543) has the molecular formula C214H208BrF3N54O12
and a molecular weight of 3865.28 g/mol. Its IUPAC name is tert-butyl 3-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;tert-butyl 3-[5-[3-cyano-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;5-fluoro-7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile).
Frequently Asked Questions
What is the IUPAC name of tert-butyl 3-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;tert-butyl 3-[5-[3-cyano-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;5-fluoro-7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile)?
The IUPAC name of tert-butyl 3-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;tert-butyl 3-[5-[3-cyano-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;5-fluoro-7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile) (CID 165063543) is tert-butyl 3-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;tert-butyl 3-[5-[3-cyano-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;5-fluoro-7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile).
What is the SMILES notation for tert-butyl 3-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;tert-butyl 3-[5-[3-cyano-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;5-fluoro-7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile)?
The canonical SMILES for tert-butyl 3-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;tert-butyl 3-[5-[3-cyano-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;5-fluoro-7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile) is CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3cc(Br)cn4ncc(C#N)c34)cn1)C2.CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3cc(N4CC[C@H](O)C4)cn4ncc(C#N)c34)cn1)C2.N#Cc1cnn2cc(N3CC[C@H](O)C3)cc(-c3ccc(N4CC5CC(C4)N5)nc3)c12.N#Cc1cnn2cc(N3CC[C@H](O)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C(F)=CC5)nc3)c12.N#Cc1cnn2cc(N3CC[C@H](O)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C(F)=CC5)nc3)c12.N#Cc1cnn2cc(N3CC[C@H](O)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C=CC5)nc3)c12.N#Cc1cnn2cc(N3CC[C@H](O)C3)cc(-c3ccc(N4CC5CC(C4)N5Cc4cnc5c(c4)C=CC5)nc3)c12.O=Cc1cnc2c(c1)C(F)=CC2.O=Cc1cnc2c(c1)C=CC2.
What is the InChIKey of tert-butyl 3-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;tert-butyl 3-[5-[3-cyano-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;5-fluoro-7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile)?
The InChIKey is RPDOTVUESIHMLZ-JEIGCSDDSA-N. The full InChI is InChI=1S/2C31H29FN8O.2C31H30N8O.C27H31N7O3.C23H23BrN6O2.C22H23N7O.C9H6FNO.C9H7NO/c2*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;2*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;1-27(2,3)37-26(36)34-20-8-21(34)14-32(13-20)24-5-4-17(11-29-24)23-9-19(31-7-6-22(35)16-31)15-33-25(23)18(10-28)12-30-33;1-23(2,3)32-22(31)30-17-7-18(30)13-28(12-17)20-5-4-14(9-26-20)19-6-16(24)11-29-21(19)15(8-25)10-27-29;23-7-15-9-25-29-12-18(27-4-3-19(30)13-27)6-20(22(15)29)14-1-2-21(24-8-14)28-10-16-5-17(11-28)26-16;10-8-1-2-9-7(8)3-6(5-12)4-11-9;11-6-7-4-8-2-1-3-9(8)10-5-7/h2*1-2,4,7,9,11-13,17,23-25,41H,3,5-6,8,14-16,18H2;2*1-2,4-5,8,10,12-14,18,25-27,40H,3,6-7,9,15-17,19H2;4-5,9,11-12,15,20-22,35H,6-8,13-14,16H2,1-3H3;4-6,9-11,17-18H,7,12-13H2,1-3H3;1-2,6,8-9,12,16-17,19,26,30H,3-5,10-11,13H2;1,3-5H,2H2;1-2,4-6H,3H2/t2*23?,24?,25-;2*25?,26?,27-;20?,21?,22-;;16?,17?,19-;;/m00000.0../s1.
What are the key properties of tert-butyl 3-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;tert-butyl 3-[5-[3-cyano-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;5-fluoro-7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile)?
tert-butyl 3-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;tert-butyl 3-[5-[3-cyano-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;5-fluoro-7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile) has a molecular weight of 3865.28 g/mol, XLogP of 25.54, 30 rotatable bonds, 7 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;tert-butyl 3-[5-[3-cyano-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-(7H-cyclopenta[b]pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;5-fluoro-7H-cyclopenta[b]pyridine-3-carbaldehyde;bis(4-[6-[6-[(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile) is sourced from PubChem (CID 165063543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).