N-[4-[2-[[5-tert-butyl-1-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

C197H245F6N61O23 — CID 167551979

IUPACN-[4-[2-[[5-tert-butyl-1-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCOCCN1CC[C@H](n2nc(Nc3nc4ncc(Oc5ccnc(NC(=O)C6CC6)c5)cc4n3C)cc2C(C)(C)C)C1.COCCN1CC[C@H](n2nc(Nc3nc4ncc(Oc5ccnc(NC(=O)C6CC6)c5)cc4n3C)cc2C(C)(C)C)C1.COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C(C)(C)C)n([C@@H]4CCOC4)n3)n(C)c12.COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C(C)(C)C)n([C@H]4CCOC4)n3)n(C)c12.COc1c(Oc2ccnc(NC(C)=O)c2)cnc2nc(Nc3cc(C(C)(C)C)n(C4CN(C)CC4(F)F)n3)n(C)c12.COc1c(Oc2ccnc(NC(C)=O)c2)cnc2nc(Nc3cc(C(C)(C)C)n([C@@H]4CN(C)CC4(F)F)n3)n(C)c12.COc1c(Oc2ccnc(NC(C)=O)c2)cnc2nc(Nc3cc(C(C)(C)C)n([C@H]4CN(C)CC4(F)F)n3)n(C)c12
InChIInChI=1S/2C30H39N9O3.2C28H34N8O4.3C27H33F2N9O3/c2*1-30(2,3)24-16-26(36-39(24)20-9-11-38(18-20)12-13-41-5)34-29-35-27-23(37(29)4)14-22(17-32-27)42-21-8-10-31-25(15-21)33-28(40)19-6-7-19;2*1-28(2,3)20-13-22(34-36(20)17-9-11-39-15-17)32-27-33-25-23(35(27)4)24(38-5)19(14-30-25)40-18-8-10-29-21(12-18)31-26(37)16-6-7-16;3*1-15(39)32-20-10-16(8-9-30-20)41-17-12-31-24-22(23(17)40-7)37(6)25(34-24)33-21-11-18(26(2,3)4)38(35-21)19-13-36(5)14-27(19,28)29/h2*8,10,14-17,19-20H,6-7,9,11-13,18H2,1-5H3,(H,31,33,40)(H,32,34,35,36);2*8,10,12-14,16-17H,6-7,9,11,15H2,1-5H3,(H,29,31,37)(H,30,32,33,34);3*8-12,19H,13-14H2,1-7H3,(H,30,32,39)(H,31,33,34,35)/t2*20-;2*17-;2*19-;/m001010./s1
InChIKeyCNJCPLJLEGDAKK-HSQJVAQISA-N
MW3949.52 g/mol
LogP32.14
Rot. Bonds57

About N-[4-[2-[[5-tert-butyl-1-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(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-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 167551979) has the molecular formula C197H245F6N61O23 and a molecular weight of 3949.52 g/mol. Its IUPAC name is N-[4-[2-[[5-tert-butyl-1-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[[5-tert-butyl-1-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
PubChem CID167551979
Molecular FormulaC197H245F6N61O23
Molecular Weight3949.52 g/mol
Exact Mass3946.98
IUPAC NameN-[4-[2-[[5-tert-butyl-1-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCOCCN1CC[C@H](n2nc(Nc3nc4ncc(Oc5ccnc(NC(=O)C6CC6)c5)cc4n3C)cc2C(C)(C)C)C1.COCCN1CC[C@H](n2nc(Nc3nc4ncc(Oc5ccnc(NC(=O)C6CC6)c5)cc4n3C)cc2C(C)(C)C)C1.COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C(C)(C)C)n([C@@H]4CCOC4)n3)n(C)c12.COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C(C)(C)C)n([C@H]4CCOC4)n3)n(C)c12.COc1c(Oc2ccnc(NC(C)=O)c2)cnc2nc(Nc3cc(C(C)(C)C)n(C4CN(C)CC4(F)F)n3)n(C)c12.COc1c(Oc2ccnc(NC(C)=O)c2)cnc2nc(Nc3cc(C(C)(C)C)n([C@@H]4CN(C)CC4(F)F)n3)n(C)c12.COc1c(Oc2ccnc(NC(C)=O)c2)cnc2nc(Nc3cc(C(C)(C)C)n([C@H]4CN(C)CC4(F)F)n3)n(C)c12
InChIInChI=1S/2C30H39N9O3.2C28H34N8O4.3C27H33F2N9O3/c2*1-30(2,3)24-16-26(36-39(24)20-9-11-38(18-20)12-13-41-5)34-29-35-27-23(37(29)4)14-22(17-32-27)42-21-8-10-31-25(15-21)33-28(40)19-6-7-19;2*1-28(2,3)20-13-22(34-36(20)17-9-11-39-15-17)32-27-33-25-23(35(27)4)24(38-5)19(14-30-25)40-18-8-10-29-21(12-18)31-26(37)16-6-7-16;3*1-15(39)32-20-10-16(8-9-30-20)41-17-12-31-24-22(23(17)40-7)37(6)25(34-24)33-21-11-18(26(2,3)4)38(35-21)19-13-36(5)14-27(19,28)29/h2*8,10,14-17,19-20H,6-7,9,11-13,18H2,1-5H3,(H,31,33,40)(H,32,34,35,36);2*8,10,12-14,16-17H,6-7,9,11,15H2,1-5H3,(H,29,31,37)(H,30,32,33,34);3*8-12,19H,13-14H2,1-7H3,(H,30,32,39)(H,31,33,34,35)/t2*20-;2*17-;2*19-;/m001010./s1
InChIKeyCNJCPLJLEGDAKK-HSQJVAQISA-N
XLogP32.14
TPSA881.73 Ų
H-Bond Donors14
H-Bond Acceptors77
Rotatable Bonds57
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003949.52
LogP ≤ 532.14
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1077

Analyze N-[4-[2-[[5-tert-butyl-1-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-tert-butyl-1-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(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-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (CID 167551979) is N-[4-[2-[[5-tert-butyl-1-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(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-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(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-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is COCCN1CC[C@H](n2nc(Nc3nc4ncc(Oc5ccnc(NC(=O)C6CC6)c5)cc4n3C)cc2C(C)(C)C)C1.COCCN1CC[C@H](n2nc(Nc3nc4ncc(Oc5ccnc(NC(=O)C6CC6)c5)cc4n3C)cc2C(C)(C)C)C1.COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C(C)(C)C)n([C@@H]4CCOC4)n3)n(C)c12.COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C(C)(C)C)n([C@H]4CCOC4)n3)n(C)c12.COc1c(Oc2ccnc(NC(C)=O)c2)cnc2nc(Nc3cc(C(C)(C)C)n(C4CN(C)CC4(F)F)n3)n(C)c12.COc1c(Oc2ccnc(NC(C)=O)c2)cnc2nc(Nc3cc(C(C)(C)C)n([C@@H]4CN(C)CC4(F)F)n3)n(C)c12.COc1c(Oc2ccnc(NC(C)=O)c2)cnc2nc(Nc3cc(C(C)(C)C)n([C@H]4CN(C)CC4(F)F)n3)n(C)c12.
What is the InChIKey of N-[4-[2-[[5-tert-butyl-1-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(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 CNJCPLJLEGDAKK-HSQJVAQISA-N. The full InChI is InChI=1S/2C30H39N9O3.2C28H34N8O4.3C27H33F2N9O3/c2*1-30(2,3)24-16-26(36-39(24)20-9-11-38(18-20)12-13-41-5)34-29-35-27-23(37(29)4)14-22(17-32-27)42-21-8-10-31-25(15-21)33-28(40)19-6-7-19;2*1-28(2,3)20-13-22(34-36(20)17-9-11-39-15-17)32-27-33-25-23(35(27)4)24(38-5)19(14-30-25)40-18-8-10-29-21(12-18)31-26(37)16-6-7-16;3*1-15(39)32-20-10-16(8-9-30-20)41-17-12-31-24-22(23(17)40-7)37(6)25(34-24)33-21-11-18(26(2,3)4)38(35-21)19-13-36(5)14-27(19,28)29/h2*8,10,14-17,19-20H,6-7,9,11-13,18H2,1-5H3,(H,31,33,40)(H,32,34,35,36);2*8,10,12-14,16-17H,6-7,9,11,15H2,1-5H3,(H,29,31,37)(H,30,32,33,34);3*8-12,19H,13-14H2,1-7H3,(H,30,32,39)(H,31,33,34,35)/t2*20-;2*17-;2*19-;/m001010./s1.
What are the key properties of N-[4-[2-[[5-tert-butyl-1-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(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-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(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 3949.52 g/mol, XLogP of 32.14, 57 rotatable bonds, 14 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-tert-butyl-1-[(3R)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[5-tert-butyl-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;bis(N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-methoxyethyl)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)-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-[(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 167551979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).