About 7-[benzyl(methyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-aminocyclobutan-1-ol
7-[benzyl(methyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-aminocyclobutan-1-ol (PubChem CID 157218244) has the molecular formula C92H113N27O7
and a molecular weight of 1709.10 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-aminocyclobutan-1-ol.
Frequently Asked Questions
What is the IUPAC name of 7-[benzyl(methyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-aminocyclobutan-1-ol?
The IUPAC name of 7-[benzyl(methyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-aminocyclobutan-1-ol (CID 157218244) is 7-[benzyl(methyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-aminocyclobutan-1-ol.
What is the SMILES notation for 7-[benzyl(methyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-aminocyclobutan-1-ol?
The canonical SMILES for 7-[benzyl(methyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-aminocyclobutan-1-ol is CN1CCN(CCn2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@H]5CC[C@@H]5O)c4n3)c3cccnc32)CC1.CN1CCN(CCn2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)O)c4n3)c3cccnc32)CC1.CNc1cc(-c2cn(CCN3CCN(C)CC3)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12.N[C@H]1CC[C@@H]1O.
What is the InChIKey of 7-[benzyl(methyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-aminocyclobutan-1-ol?
The InChIKey is ASRCNLXLFDUNMI-QIOXCGCMSA-N. The full InChI is InChI=1S/C33H39N9O2.C29H32N8O2.C26H33N9O2.C4H9NO/c1-38-13-15-40(16-14-38)17-18-41-22-26(24-9-6-12-34-31(24)41)28-19-30(39(2)21-23-7-4-3-5-8-23)42-32(36-28)25(20-35-42)33(44)37-27-10-11-29(27)43;1-33-11-13-35(14-12-33)15-16-36-20-24(22-9-6-10-30-27(22)36)25-17-26(34(2)19-21-7-4-3-5-8-21)37-28(32-25)23(18-31-37)29(38)39;1-27-23-14-21(30-25-18(15-29-35(23)25)26(37)31-20-5-6-22(20)36)19-16-34(24-17(19)4-3-7-28-24)13-12-33-10-8-32(2)9-11-33;5-3-1-2-4(3)6/h3-9,12,19-20,22,27,29,43H,10-11,13-18,21H2,1-2H3,(H,37,44);3-10,17-18,20H,11-16,19H2,1-2H3,(H,38,39);3-4,7,14-16,20,22,27,36H,5-6,8-13H2,1-2H3,(H,31,37);3-4,6H,1-2,5H2/t27-,29-;;20-,22-;3-,4-/m0.00/s1.
What are the key properties of 7-[benzyl(methyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-aminocyclobutan-1-ol?
7-[benzyl(methyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-aminocyclobutan-1-ol has a molecular weight of 1709.10 g/mol, XLogP of 6.97, 24 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[benzyl(methyl)amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1S,2S)-2-aminocyclobutan-1-ol is sourced from PubChem (CID 157218244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).