About N-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
N-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 167708067) has the molecular formula C113H136F5N35O10
and a molecular weight of 2239.56 g/mol. Its IUPAC name is N-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (CID 167708067) is N-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C(C)(F)F)n([C@H]4CCOC4)n3)n(C)c12.Cn1c(Nc2cc(C(C)(C)C)n(C3CCN(CCF)C3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21.Cn1c(Nc2cc(C(C)(C)C)n([C@@H]3CCN(CCF)C3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21.Cn1c(Nc2cc(C(C)(C)C)n([C@H]3CCN(CCF)C3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21.
What is the InChIKey of N-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ZKFFTCQCKMWPEL-ISDOMLOBSA-N. The full InChI is InChI=1S/3C29H36FN9O2.C26H28F2N8O4/c3*1-29(2,3)23-15-25(36-39(23)19-8-11-38(17-19)12-9-30)34-28-35-26-22(37(28)4)13-21(16-32-26)41-20-7-10-31-24(14-20)33-27(40)18-5-6-18;1-26(27,28)18-11-20(34-36(18)15-7-9-39-13-15)32-25-33-23-21(35(25)2)22(38-3)17(12-30-23)40-16-6-8-29-19(10-16)31-24(37)14-4-5-14/h3*7,10,13-16,18-19H,5-6,8-9,11-12,17H2,1-4H3,(H,31,33,40)(H,32,34,35,36);6,8,10-12,14-15H,4-5,7,9,13H2,1-3H3,(H,29,31,37)(H,30,32,33,34)/t2*19-;;15-/m10.0/s1.
What are the key properties of N-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 2239.56 g/mol, XLogP of 19.40, 36 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 167708067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).