7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane

C182H193F7N48O30 — CID 157230594

IUPAC7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
SMILESC.C.C.C.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)nc4c(F)cnn34)(CC1)CC2.CN1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)CC1.CNC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)nc4c(F)cnn34)(CC1)CC2.Cc1nccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)n1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(C)(CC4)CC5)n4ncc(F)c4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(CC4)CC5)n4ncc(F)c4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4cnccn4)n4ncc(F)c4n3)cc21
InChIInChI=1S/C28H30FN7O5.C28H29FN6O5.C27H29FN6O4.C26H27FN6O4.C24H26FN7O4.C23H19FN8O4.C22H17FN8O4.4CH4/c1-30-25(39)28-8-5-27(6-9-28,7-10-28)15-32-24(38)20-12-18(34-22-17(29)14-33-36(20)22)23(37)31-13-16-3-4-21-19(11-16)35(2)26(40)41-21;1-16(36)28-8-5-27(6-9-28,7-10-28)15-31-25(38)21-12-19(33-23-18(29)14-32-35(21)23)24(37)30-13-17-3-4-22-20(11-17)34(2)26(39)40-22;1-26-5-8-27(9-6-26,10-7-26)15-30-24(36)20-12-18(32-22-17(28)14-31-34(20)22)23(35)29-13-16-3-4-21-19(11-16)33(2)25(37)38-21;1-32-19-10-16(2-3-21(19)37-25(32)36)12-28-23(34)18-11-20(33-22(31-18)17(27)13-30-33)24(35)29-14-26-7-4-15(5-8-26)6-9-26;1-30-7-5-14(6-8-30)11-27-23(34)19-10-17(29-21-16(25)13-28-32(19)21)22(33)26-12-15-3-4-20-18(9-15)31(2)24(35)36-20;1-12-25-6-5-14(29-12)10-27-22(34)18-8-16(30-20-15(24)11-28-32(18)20)21(33)26-9-13-3-4-19-17(7-13)31(2)23(35)36-19;1-30-16-6-12(2-3-18(16)35-22(30)34)8-26-20(32)15-7-17(31-19(29-15)14(23)11-28-31)21(33)27-10-13-9-24-4-5-25-13;;;;/h3-4,11-12,14H,5-10,13,15H2,1-2H3,(H,30,39)(H,31,37)(H,32,38);3-4,11-12,14H,5-10,13,15H2,1-2H3,(H,30,37)(H,31,38);3-4,11-12,14H,5-10,13,15H2,1-2H3,(H,29,35)(H,30,36);2-3,10-11,13,15H,4-9,12,14H2,1H3,(H,28,34)(H,29,35);3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H,26,33)(H,27,34);3-8,11H,9-10H2,1-2H3,(H,26,33)(H,27,34);2-7,9,11H,8,10H2,1H3,(H,26,32)(H,27,33);4*1H4
InChIKeyAUBBIBJZIDUCGE-UHFFFAOYSA-N
MW3665.84 g/mol
LogP17.33
Rot. Bonds44

About 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane

7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane (PubChem CID 157230594) has the molecular formula C182H193F7N48O30 and a molecular weight of 3665.84 g/mol. Its IUPAC name is 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane.

Molecular Properties

Compound Name7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
PubChem CID157230594
Molecular FormulaC182H193F7N48O30
Molecular Weight3665.84 g/mol
Exact Mass3663.49
IUPAC Name7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
SMILESC.C.C.C.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)nc4c(F)cnn34)(CC1)CC2.CN1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)CC1.CNC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)nc4c(F)cnn34)(CC1)CC2.Cc1nccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)n1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(C)(CC4)CC5)n4ncc(F)c4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(CC4)CC5)n4ncc(F)c4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4cnccn4)n4ncc(F)c4n3)cc21
InChIInChI=1S/C28H30FN7O5.C28H29FN6O5.C27H29FN6O4.C26H27FN6O4.C24H26FN7O4.C23H19FN8O4.C22H17FN8O4.4CH4/c1-30-25(39)28-8-5-27(6-9-28,7-10-28)15-32-24(38)20-12-18(34-22-17(29)14-33-36(20)22)23(37)31-13-16-3-4-21-19(11-16)35(2)26(40)41-21;1-16(36)28-8-5-27(6-9-28,7-10-28)15-31-25(38)21-12-19(33-23-18(29)14-32-35(21)23)24(37)30-13-17-3-4-22-20(11-17)34(2)26(39)40-22;1-26-5-8-27(9-6-26,10-7-26)15-30-24(36)20-12-18(32-22-17(28)14-31-34(20)22)23(35)29-13-16-3-4-21-19(11-16)33(2)25(37)38-21;1-32-19-10-16(2-3-21(19)37-25(32)36)12-28-23(34)18-11-20(33-22(31-18)17(27)13-30-33)24(35)29-14-26-7-4-15(5-8-26)6-9-26;1-30-7-5-14(6-8-30)11-27-23(34)19-10-17(29-21-16(25)13-28-32(19)21)22(33)26-12-15-3-4-20-18(9-15)31(2)24(35)36-20;1-12-25-6-5-14(29-12)10-27-22(34)18-8-16(30-20-15(24)11-28-32(18)20)21(33)26-9-13-3-4-19-17(7-13)31(2)23(35)36-19;1-30-16-6-12(2-3-18(16)35-22(30)34)8-26-20(32)15-7-17(31-19(29-15)14(23)11-28-31)21(33)27-10-13-9-24-4-5-25-13;;;;/h3-4,11-12,14H,5-10,13,15H2,1-2H3,(H,30,39)(H,31,37)(H,32,38);3-4,11-12,14H,5-10,13,15H2,1-2H3,(H,30,37)(H,31,38);3-4,11-12,14H,5-10,13,15H2,1-2H3,(H,29,35)(H,30,36);2-3,10-11,13,15H,4-9,12,14H2,1H3,(H,28,34)(H,29,35);3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H,26,33)(H,27,34);3-8,11H,9-10H2,1-2H3,(H,26,33)(H,27,34);2-7,9,11H,8,10H2,1H3,(H,26,32)(H,27,33);4*1H4
InChIKeyAUBBIBJZIDUCGE-UHFFFAOYSA-N
XLogP17.33
TPSA965.68 Ų
H-Bond Donors15
H-Bond Acceptors63
Rotatable Bonds44
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003665.84
LogP ≤ 517.33
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1063

Analyze 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane?
The IUPAC name of 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane (CID 157230594) is 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane.
What is the SMILES notation for 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane?
The canonical SMILES for 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane is C.C.C.C.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)nc4c(F)cnn34)(CC1)CC2.CN1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)CC1.CNC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)nc4c(F)cnn34)(CC1)CC2.Cc1nccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)n1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(C)(CC4)CC5)n4ncc(F)c4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(CC4)CC5)n4ncc(F)c4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4cnccn4)n4ncc(F)c4n3)cc21.
What is the InChIKey of 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane?
The InChIKey is AUBBIBJZIDUCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN7O5.C28H29FN6O5.C27H29FN6O4.C26H27FN6O4.C24H26FN7O4.C23H19FN8O4.C22H17FN8O4.4CH4/c1-30-25(39)28-8-5-27(6-9-28,7-10-28)15-32-24(38)20-12-18(34-22-17(29)14-33-36(20)22)23(37)31-13-16-3-4-21-19(11-16)35(2)26(40)41-21;1-16(36)28-8-5-27(6-9-28,7-10-28)15-31-25(38)21-12-19(33-23-18(29)14-32-35(21)23)24(37)30-13-17-3-4-22-20(11-17)34(2)26(39)40-22;1-26-5-8-27(9-6-26,10-7-26)15-30-24(36)20-12-18(32-22-17(28)14-31-34(20)22)23(35)29-13-16-3-4-21-19(11-16)33(2)25(37)38-21;1-32-19-10-16(2-3-21(19)37-25(32)36)12-28-23(34)18-11-20(33-22(31-18)17(27)13-30-33)24(35)29-14-26-7-4-15(5-8-26)6-9-26;1-30-7-5-14(6-8-30)11-27-23(34)19-10-17(29-21-16(25)13-28-32(19)21)22(33)26-12-15-3-4-20-18(9-15)31(2)24(35)36-20;1-12-25-6-5-14(29-12)10-27-22(34)18-8-16(30-20-15(24)11-28-32(18)20)21(33)26-9-13-3-4-19-17(7-13)31(2)23(35)36-19;1-30-16-6-12(2-3-18(16)35-22(30)34)8-26-20(32)15-7-17(31-19(29-15)14(23)11-28-31)21(33)27-10-13-9-24-4-5-25-13;;;;/h3-4,11-12,14H,5-10,13,15H2,1-2H3,(H,30,39)(H,31,37)(H,32,38);3-4,11-12,14H,5-10,13,15H2,1-2H3,(H,30,37)(H,31,38);3-4,11-12,14H,5-10,13,15H2,1-2H3,(H,29,35)(H,30,36);2-3,10-11,13,15H,4-9,12,14H2,1H3,(H,28,34)(H,29,35);3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H,26,33)(H,27,34);3-8,11H,9-10H2,1-2H3,(H,26,33)(H,27,34);2-7,9,11H,8,10H2,1H3,(H,26,32)(H,27,33);4*1H4.
What are the key properties of 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane?
7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane has a molecular weight of 3665.84 g/mol, XLogP of 17.33, 44 rotatable bonds, 15 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2-methylpyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane is sourced from PubChem (CID 157230594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).